SCHEMBL977402

SCHEMBL977402

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.53
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.32
MAPK8 P45983 1/20 0.32
ADORA2B P29275 1/20 0.31
KDM5A P29375 1/20 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
SCHEMBL977404 1.00 MTOR (0.53) MTORCYP1A2FYNALDH1A1POLB
SCHEMBL979291 1.00 MTOR (0.53) MTORCYP1A2FYNALDH1A1POLB
SCHEMBL978990 0.85 CYP1A2 (0.60) MTORCYP1A2FYN
SCHEMBL976222 0.85 CYP1A2 (0.60) MTORCYP1A2FYN
SCHEMBL976663 0.84 FYN (0.52) MTORCYP1A2FYN
SCHEMBL978090 0.84 FYN (0.52) MTORCYP1A2FYN
SCHEMBL976658 0.84 FYN (0.52) MTORCYP1A2FYN
SCHEMBL976660 0.84 FYN (0.52) MTORCYP1A2FYN
SCHEMBL978088 0.84 FYN (0.52) MTORCYP1A2FYN
SCHEMBL976661 0.84 FYN (0.52) MTORCYP1A2FYN

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-2069352-B9 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2017-03-15 EP 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-2069352-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-10-09 EP 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
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US disclosed
US-20080146561-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2008-06-19 US 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 MTOR 607/4885CYP1A2 3794/4885FYN 1580/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 MTOR 2781/4885CYP1A2 3227/4885FYN 1233/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 MTOR 4448/4885CYP1A2 4687/4885FYN 1007/4885
US-20150065525-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, TNNT2 MTOR 4845/4885CYP1A2 4502/4885FYN 3696/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 MTOR 607/4885CYP1A2 3794/4885FYN 1580/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 MTOR 3297/4885CYP1A2 20/4885FYN 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 MTOR 4388/4885CYP1A2 2979/4885FYN 3653/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 MTOR 3118/4885CYP1A2 4298/4885FYN 2763/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 MTOR 607/4885CYP1A2 3794/4885FYN 1580/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 MTOR 2781/4885CYP1A2 3227/4885FYN 1233/4885
US-20150250784-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 MTOR 3118/4885CYP1A2 4298/4885FYN 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.