SCHEMBL3253045

SCHEMBL3253045

COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccnc4[nH]c(C)cc34)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.61
CDK4 P11802 5/20 0.61
IKBKB O14920 7/20 0.56
CHUK O15111 4/20 0.56
ROCK1 Q13464 1/20 0.55
CDK1 P06493 1/20 0.50
SYK P43405 2/20 0.45

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
SCHEMBL3249845 0.95 CDK2 (0.57) CDK2CDK4IKBKBCHUKROCK1
SCHEMBL3247683 0.85 CDK2 (0.61) CDK2CDK4IKBKBCHUKROCK1
SCHEMBL3251653 0.80 CDK2 (0.58) CDK2CDK4IKBKBCHUKROCK1
SCHEMBL4161781 0.79 CDK2 (0.67) CDK2CDK4CDK1
SCHEMBL6604567 0.78 CDK2 (0.64) CDK2CDK4IKBKBCDK1SYK
SCHEMBL6606019 0.78 CDK2 (0.64) CDK2CDK4IKBKBCDK1SYK
SCHEMBL6821901 0.78 CDK2 (0.62) CDK2CDK4IKBKBCDK1SYK
SCHEMBL6609742 0.78 CDK2 (0.63) CDK2CDK4IKBKBCDK1SYK
SCHEMBL4855523 0.76 CDK2 (0.83) CDK2CDK4IKBKBCDK1
SCHEMBL6594955 0.76 CDK2 (1.00) CDK2CDK4IKBKBCDK1SYK

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 10 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-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-03-12 EP claimed
WO-2006124863-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 WO claimed
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 CDK2 9/4885CDK4 129/4885IKBKB 489/4885

“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.