SCHEMBL3247312

SCHEMBL3247312

Brc1cccc(Nc2nccc(-c3ccnc4[nH]ncc34)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
PIK3CG P48736 4/20 0.47
PIK3CA P42336 3/20 0.47
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKCQ Q04759 1/20 0.47
ROCK1 Q13464 1/20 0.47
EGFR P00533 3/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
RET P07949 1/20 0.46
KDR P35968 2/20 0.45
PIK3CB P42338 3/20 0.45
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
SYK P43405 1/20 0.44

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
SCHEMBL3246795 0.87 NUDT1 (0.62) NUDT1PIK3CGPIK3CAPRKCAPRKCD
SCHEMBL3252559 0.83 CDK2 (0.57) PRKCAPRKCDJAK2ROCK2PRKCQ
SCHEMBL13357453 0.82 CDK1 (0.55) NUDT1PIK3CGPIK3CAPRKCAPRKCD
SCHEMBL3244016 0.81 PIK3CG (0.52) PIK3CGPIK3CACCNB2CDK1CCNB1
SCHEMBL3247317 0.77 CDK2 (0.52) PIK3CGPIK3CAEGFRCCNB2CDK1
SCHEMBL3249838 0.77 CDK1 (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3247292 0.73 GSK3B (0.47) PIK3CGPIK3CAPRKCAPRKCDEGFR
SCHEMBL3252266 0.73 EGFR (0.49) PIK3CGPIK3CAPRKCAPRKCDEGFR
SCHEMBL12423172 0.72 PIK3CG (0.52) PIK3CGPIK3CAPRKCAPRKCDEGFR
SCHEMBL3246045 0.71 PIK3CG (0.52) NUDT1PIK3CGPIK3CAPRKCAPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP claimed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US claimed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
EP-1896470-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-03-12 EP disclosed
WO-2006124863-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 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 (1 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-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors ERBB2, JAK2, AURKC NUDT1 3955/4885PIK3CG 89/4885PIK3CA 67/4885

“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.