SCHEMBL2542944

SCHEMBL2542944

c1ccc(Nc2nccc(-c3c[nH]c4cnccc34)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 6/20 0.67
CDK1 P06493 6/20 0.67
CCNB1 P14635 6/20 0.67
CCNB3 Q8WWL7 6/20 0.67
DYRK1B Q9Y463 5/20 0.61
DYRK1A Q13627 4/20 0.61
CDK2 P24941 4/20 0.61
NFATC1 O95644 2/20 0.61
GSK3B P49841 1/20 0.61
IGF1R P08069 3/20 0.61
FLT3 P36888 2/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
ABL1 P00519 2/20 0.53
EGFR P00533 2/20 0.53
PRKCA P17252 2/20 0.53
PRKCD Q05655 2/20 0.53
BCR P11274 1/20 0.53
SRC P12931 1/20 0.53
PRKACA P17612 1/20 0.53

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
SCHEMBL13051126 0.91 DYRK1B (0.60) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL1586801 0.90 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL31588329 0.88 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3DYRK1A
SCHEMBL144954 0.88 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3DYRK1A
SCHEMBL13051119 0.86 ABL1 (0.55) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL13051120 0.86 ABL1 (0.58) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL13051125 0.85 DYRK1B (0.61) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL30847342 0.84 ABL1 (0.57) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL13051121 0.84 CDK2 (0.56) CCNB2CDK1CCNB1CCNB3DYRK1B
SCHEMBL27109944 0.84 ABL1 (0.57) CCNB2CDK1CCNB1CCNB3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US claimed
CN-101723936-B Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2014-01-15 CN disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
EP-2231664-A1 4-(PYRROLOÝ2,3-C¨PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES Merck Patent GmbH (DE) 2010-09-29 EP disclosed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 CN disclosed
WO-2010051781-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC. (CN) 2010-05-14 WO disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 WO disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 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 (2 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 CCNB2 1037/4885CDK1 129/4885CCNB1 1308/4885
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 CCNB2 26/4885CDK1 9/4885CCNB1 12/4885

“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.