SCHEMBL975886

SCHEMBL975886

Brc1cnc2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
MET P08581 4/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
TNF P01375 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PNP P00491 2/20 0.43
CDK1 P06493 1/20 0.43
YTHDC1 Q96MU7 1/20 0.43
ACP1 P24666 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL16044462 0.84 MET (0.46) METCYP11B1CYP11B2
SCHEMBL979313 0.78 MET (0.45) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL24265723 0.77 CYP11B1 (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL978389 0.74 ADORA2A (0.43) ADORA2ASMN1; SMN2
SCHEMBL15470931 0.73 CYP11B1 (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30586354 0.69 YTHDC1 (0.65) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7216047 0.68 CYP11B1 (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30586358 0.68 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL782938 0.68 YTHDC1 (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28290149 0.68 CYP11B1 (0.53) ADORA2API4KAPI4K2BPI4K2API4KB

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 4328/4885PI4KA 3534/4885PI4K2B 4295/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 ADORA2A 2559/4885PI4KA 4671/4885PI4K2B 4768/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 ADORA2A 4328/4885PI4KA 3534/4885PI4K2B 4295/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 ADORA2A 1580/4885PI4KA 1586/4885PI4K2B 843/4885
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 3901/4885PI4KA 3382/4885PI4K2B 2511/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ADORA2A 4328/4885PI4KA 3534/4885PI4K2B 4295/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 ADORA2A 2559/4885PI4KA 4671/4885PI4K2B 4768/4885

“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.