SCHEMBL2544992

SCHEMBL2544992

c1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 1.00
CDK1 P06493 11/20 1.00
CCNB1 P14635 11/20 1.00
CCNB3 Q8WWL7 11/20 1.00
RET P07949 13/20 0.74
CCNT1 O60563 1/20 0.67
CCNA2 P20248 1/20 0.67
CDK2 P24941 1/20 0.67
CDK9 P50750 1/20 0.67
CDC7 O00311 1/20 0.67
MAP4K4 O95819 1/20 0.67
PIM1 P11309 1/20 0.67
PRKACA P17612 1/20 0.67
GSK3B P49841 1/20 0.67
HIPK2 Q9H2X6 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
MKNK2 Q9HBH9 1/20 0.67
IRAK4 Q9NWZ3 1/20 0.67

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
SCHEMBL3773731 0.88 CDK1 (0.79) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3247310 0.88 CDK1 (0.79) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3781298 0.88 CCNB2 (0.79) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13007924 0.88 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL144954 0.86 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL31588329 0.86 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13239597 0.85 RET (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3765454 0.85 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL13991592 0.85 CDK1 (0.74) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3249838 0.85 CDK1 (0.76) CCNB2CDK1CCNB1CCNB3RET

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-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-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
US-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-08 US disclosed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
WO-2007107221-A1 4-(PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-09-27 WO disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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 (3 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-20100173923-A1 4 (PYRROLOPYRIDINYL)PYRIMIDINYL-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 CCNB2 24/4885CDK1 6/4885CCNB1 13/4885
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 CCNB2 358/4885CDK1 71/4885CCNB1 441/4885

“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.