SCHEMBL979772

SCHEMBL979772

CCC(CC)n1c(O)nc2nc(C(=O)NC)cnc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CYP1A2 P05177 1/20 0.33
CCR1 P32246 1/20 0.32
AKR1B1 P15121 3/20 0.32
CNR2 P34972 4/20 0.31
GPR6 P46095 2/20 0.31
BRD4 O60885 2/20 0.31
PLK1 P53350 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL978593 0.85 CYP1A2 (0.32) CYP1A2
SCHEMBL977833 0.85 ALDH1A1 (0.33) CYP1A2AKR1B1
SCHEMBL976947 0.85 MAPK1 (0.33) CYP1A2
SCHEMBL979050 0.82 CDK4 (0.31) CYP1A2
SCHEMBL977580 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL979216 0.76 CYP1A2 (0.50) CNR1CYP1A2AKR1B1
SCHEMBL13007705 0.76 HPGDS (0.38) CYP1A2PLK1
SCHEMBL978256 0.75 CYP1A2 (0.32) CYP1A2
SCHEMBL19349015 0.73 CYP1A2 (0.30) CYP1A2
SCHEMBL975557 0.73 KDM4E (0.31) CYP1A2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995619-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS COMPRISING IMIDAZOPYRIMIDINES Cytokinetics, Inc. (US) 2016-03-16 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
EP-2583970-A1 Certain chemical entities, compositions and methods comprising imidazopyrimidines Cytokinetics, Inc. (US) 2013-04-24 EP 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
CN-111840294-A Method for improving resistance to skeletal muscle fatigue 赛特凯恩蒂克公司 2020-10-30 CN disclosed
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
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

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

For each of this compound's patents that has machine-readable text (7 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 CNR1 3639/4885CYP1A2 3794/4885CCR1 2749/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 CNR1 3631/4885CYP1A2 4687/4885CCR1 1787/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 CNR1 3639/4885CYP1A2 3794/4885CCR1 2749/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 CNR1 895/4885CYP1A2 20/4885CCR1 3198/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 CNR1 4603/4885CYP1A2 4298/4885CCR1 3811/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CNR1 3639/4885CYP1A2 3794/4885CCR1 2749/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 CNR1 3146/4885CYP1A2 3227/4885CCR1 2652/4885

“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.