SCHEMBL976118

SCHEMBL976118

Oc1nc2nccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
EGLN1 Q9GZT9 1/20 0.39
DAO P14920 1/20 0.36
CCNB2 O95067 5/20 0.34
CDK1 P06493 5/20 0.34
CCNB1 P14635 5/20 0.34
CCNB3 Q8WWL7 5/20 0.34
RIPK1 Q13546 4/20 0.34
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
PDE5A O76074 1/20 0.33
NUDT1 P36639 2/20 0.32
AXL P30530 1/20 0.31
MAPK1 P28482 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL10740734 0.72 PDE5A (0.65) METAP2METAP1CCNB2CDK1CCNB1
SCHEMBL6012369 0.71 METAP2 (0.44) METAP2METAP1EGLN1DAOCCNB2
SCHEMBL30615128 0.71 METAP2 (0.44) METAP2METAP1EGLN1DAOCCNB2
SCHEMBL4719448 0.71 METAP2 (0.44) METAP2METAP1EGLN1
Zarzissine SCHEMBL1514280 0.71 NUDT1 (0.50) METAP2METAP1EGLN1CDK5CDK5R1
SCHEMBL813686 0.71 METAP2 (0.44) METAP2METAP1EGLN1CCNB2CDK1
SCHEMBL14409054 0.71 METAP2 (0.44) METAP2METAP1EGLN1NUDT1
SCHEMBL29433971 0.71 METAP2 (0.44) METAP2METAP1EGLN1NUDT1
SCHEMBL10611243 0.71 METAP2 (0.44) METAP2METAP1EGLN1DAOCCNB2
SCHEMBL4353284 0.71 DAO (0.44) DAOCCNB2CDK1CCNB1CCNB3

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 24 patents — showing the first 20. 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
EP-2925319-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES University Of Rochester (US) 2015-10-07 EP disclosed
EP-2836590-A2 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE Cytokinetics, Incorporated (US) 2015-02-18 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-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
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO 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-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
WO-2013155262-A2 METHODS FOR IMPROVING RESISTANCE TO SKELETAL MUSCLE FATIGUE CYTOKINETICS, INC (US) 2013-10-17 WO disclosed
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2013-02-28 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-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-5306819-A Anxiolytic agents NEUROGEN CORPORATION (US) 1994-04-26 US disclosed
US-5306819-A Anxiolytic agents NEUROGEN CORPORATION (US) 1994-04-26 US disclosed
WO-1994005665-A1 CERTAIN ARYL AND CYCLOALKYL FUSED IMIDAZOPYRAZINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-03-17 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 METAP2 3693/4885METAP1 3592/4885EGLN1 3528/4885
US-20130053389-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, TNNC1 METAP2 829/4885METAP1 1110/4885EGLN1 4593/4885
US-20080146561-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 METAP2 3693/4885METAP1 3592/4885EGLN1 3528/4885
US-10766899-B2 Methods for preparing substituted imidazo[4,5-b]pyrazines CYP4B1, CYP3A5, CYP4F12 METAP2 4086/4885METAP1 4026/4885EGLN1 1858/4885
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 METAP2 510/4885METAP1 564/4885EGLN1 3672/4885
US-20100093741-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 METAP2 3693/4885METAP1 3592/4885EGLN1 3528/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 METAP2 829/4885METAP1 1110/4885EGLN1 4593/4885

“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.