SCHEMBL977656

SCHEMBL977656

CCC(CC)n1cnc2nc(Br)cnc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL977554 0.87 MET (0.33) ADORA2AADORA2BADORA1PIK3CAPIK3CB
SCHEMBL4659787 0.75 PIK3CA (0.31) ADORA2AADORA2BADORA1PIK3CAPIK3CB
SCHEMBL26626502 0.73 CDK1 (0.38) ADORA2AADORA2BADORA1PIK3CGPIK3C3
SCHEMBL975838 0.73 ADORA2A (0.47) ADORA2AADORA2BADORA1ADORA3
SCHEMBL976140 0.69 CYP1A2 (0.32) ADORA2AADORA2BADORA1ADORA3
SCHEMBL975832 0.68 CDK2 (0.44) ADORA2AADORA2BADORA1PIK3CAMTOR
SCHEMBL975975 0.66
SCHEMBL978235 0.66
SCHEMBL975974 0.66
SCHEMBL978563 0.65 ADORA3 (0.32) ADORA2AADORA2BADORA1ADORA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYTOKINETICS, INCORPORATED (US) 2020-09-08 US 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
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

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 ADORA2A 4328/4885ADORA2B 3878/4885ADORA1 4013/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 ADORA2A 2559/4885ADORA2B 2050/4885ADORA1 2579/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ADORA2A 4328/4885ADORA2B 3878/4885ADORA1 4013/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ADORA2A 1580/4885ADORA2B 644/4885ADORA1 3350/4885
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 ADORA2A 3901/4885ADORA2B 2603/4885ADORA1 3833/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ADORA2A 4328/4885ADORA2B 3878/4885ADORA1 4013/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 ADORA2A 2559/4885ADORA2B 2050/4885ADORA1 2579/4885

“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.