SCHEMBL977017

SCHEMBL977017

C=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
MTOR P42345 4/20 0.42
FYN P06241 1/20 0.35
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL978051 0.81 CYP1A2 (0.66) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL977476 0.80 CYP1A2 (0.67) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL977805 0.79 CYP1A2 (0.66) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL978074 0.79 CYP1A2 (0.70) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL976625 0.79 CYP1A2 (0.66) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL977468 0.78 CYP1A2 (0.62) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL975188 0.78 CYP1A2 (0.52) CYP1A2MTORFYN
SCHEMBL975769 0.77 CYP1A2 (0.64) CYP1A2MTORFYN
SCHEMBL977638 0.76 CYP1A2 (0.63) CYP1A2MTORFYNGRIN1GRIN2B
SCHEMBL978296 0.76 CYP1A2 (0.63) CYP1A2MTORFYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS INC (US) 2017-09-21 US claimed
EP-2069352-B9 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2017-03-15 EP claimed
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 EP claimed
EP-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 EP claimed
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. 2015-03-05 US claimed
EP-2834269-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION Cytokinetics, Inc. (US) 2015-02-11 EP claimed
EP-2666777-A1 Certain chemical entities having an imidazo<4,5-b>pyrazin-2(3H)-one core, compositions and methods Cytokinetics, Inc. (US) 2013-11-27 EP claimed
WO-2013151938-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. (US) 2013-10-10 WO claimed
EP-2069352-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-10-09 EP claimed
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP claimed
US-8299248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INCORPORATED (US) 2012-10-30 US claimed
US-8293761-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2012-10-23 US claimed
US-8227603-B2 Modulating skeletal muscle CYTOKINETICS, INC. (US) 2012-07-24 US claimed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 US claimed
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US claimed
US-7598248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2009-10-06 US claimed
EP-2069352-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2009-06-17 EP claimed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US claimed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 US disclosed
EP-2995619-B1 CERTAIN CHEMICAL ENTITIES COMPRISING IMIDAZOPYRIMIDINES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2019-09-25 EP disclosed
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC. 2019-06-06 US disclosed
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS INC (US) 2017-09-21 US disclosed
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 EP disclosed
EP-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 EP disclosed
US-20150250784-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC. 2015-09-10 US disclosed
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. 2015-03-05 US disclosed
EP-2836590-A2 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE Cytokinetics, Incorporated (US) 2015-02-18 EP disclosed
EP-2834269-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION Cytokinetics, Inc. (US) 2015-02-11 EP disclosed
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use CYTOKINETICS, INCORPORATED 2014-10-09 US disclosed
US-8716291-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INC. (US) 2014-05-06 US disclosed
EP-2666777-A1 Certain chemical entities having an imidazo<4,5-b>pyrazin-2(3H)-one core, compositions and methods Cytokinetics, Inc. (US) 2013-11-27 EP disclosed
WO-2013155262-A2 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC (US) 2013-10-17 WO disclosed
WO-2013151938-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION CYTOKINETICS, INC. (US) 2013-10-10 WO disclosed
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP disclosed
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2013-02-28 US disclosed
US-8299248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols and methods for their use CYTOKINETICS, INCORPORATED (US) 2012-10-30 US disclosed
US-8293761-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2012-10-23 US disclosed
US-7956056-B2 Certain 1H-imidazo[4,5-B]pyrazin-2(3H)-ones and 1H-imidazo[4,5-B]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2011-06-07 US disclosed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 US disclosed
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US disclosed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 US disclosed
US-7598248-B2 Certain 1H-imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-imidazo[4,5-b]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2009-10-06 US disclosed
EP-2069352-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2009-06-17 EP disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016669-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210645-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885MTOR 607/4885FYN 1580/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 CYP1A2 3227/4885MTOR 2781/4885FYN 1233/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 CYP1A2 4687/4885MTOR 4448/4885FYN 1007/4885
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, TNNT2 CYP1A2 4502/4885MTOR 4845/4885FYN 3696/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885MTOR 607/4885FYN 1580/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 CYP1A2 20/4885MTOR 3297/4885FYN 2324/4885
US-20140303366-A1 Certain 1H-Imidazo[4,5-b]pyrazin-2(3H)-ones and 1H-Imidazo[4,5-b]pyrazin-2-ols and Methods for Their Use TNNI3, TNNT2, TNNC1 CYP1A2 2979/4885MTOR 4388/4885FYN 3653/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CYP1A2 4298/4885MTOR 3118/4885FYN 2763/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CYP1A2 3794/4885MTOR 607/4885FYN 1580/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 CYP1A2 3227/4885MTOR 2781/4885FYN 1233/4885
US-20150250784-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CYP1A2 4298/4885MTOR 3118/4885FYN 2763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.