SCHEMBL976246

SCHEMBL976246

CC(C)(C)n1c(=O)[nH]c2ncc(Br)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.35
RET P07949 3/20 0.35
KDR P35968 3/20 0.35
CDK7 P50613 3/20 0.35
CDK5 Q00535 3/20 0.35
PRKAA1 Q13131 3/20 0.35
AURKB Q96GD4 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
CYP1A2 P05177 1/20 0.35
MTOR P42345 5/20 0.34
MAPK1 P28482 2/20 0.33
AURKA O14965 2/20 0.32
JAK2 O60674 2/20 0.32
FLT3 P36888 2/20 0.32
GSK3B P49841 2/20 0.32
PTK2 Q05397 2/20 0.32
ROCK1 Q13464 2/20 0.32
LRRK2 Q5S007 2/20 0.32
LIMK1 P53667 1/20 0.32
GSK3A P49840 2/20 0.32

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
SCHEMBL24995481 0.81 CYP1A2 (0.35) CYP1A2MTORGSK3APIK3CAADORA2A
SCHEMBL22761965 0.79 MTOR (0.38) CYP1A2MTORGSK3APIK3CALMNA
SCHEMBL22836260 0.79 LMNA (0.44) CYP1A2MTORMAPK1ADORA2AADORA2B
SCHEMBL976340 0.77 MTOR (0.36) MTORPIK3CAADORA2AADORA2BTBK1
SCHEMBL27791099 0.75 MTOR (0.36) ABL1RETKDRCDK7CDK5
SCHEMBL481934 0.75 MTOR (0.58) ABL1RETKDRCDK7CDK5
SCHEMBL30328831 0.75 PDE4A (0.44) CYP1A2MTORGSK3APIK3CAADORA2A
SCHEMBL977805 0.72 CYP1A2 (0.66) ABL1RETKDRCDK7CDK5
SCHEMBL977389 0.72 CYP1A2 (0.49) CYP1A2MTORMAPK1FYNMAP3K11
SCHEMBL976654 0.71 MAP3K11 (0.53) CYP1A2MTORJAK2ADORA2BJAK3

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 38 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-2583970-B1 Certain chemical entities, compositions and methods comprising imidazopyrimidines CYTOKINETICS INC (US) 2015-10-14 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
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 claimed
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-15 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
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 (6 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 ABL1 2463/4885RET 1175/4885KDR 4472/4885
US-20170266192-A1 METHODS FOR IMPROVING DIAPHRAGM FUNCTION TNNC1, TNNI3, DIAPH1 ABL1 769/4885RET 3081/4885KDR 4852/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ABL1 2463/4885RET 1175/4885KDR 4472/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ABL1 160/4885RET 3572/4885KDR 3195/4885
US-20190167676-A1 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE TNNC1, TNNI3, TNNT2 ABL1 1489/4885RET 4301/4885KDR 4240/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ABL1 2463/4885RET 1175/4885KDR 4472/4885

“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.