SCHEMBL3250833

SCHEMBL3250833

c1ccc(Nc2nccc(-c3ccnc4[nH]ccc34)n2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.62
CDK1 P06493 12/20 0.55
CCNB1 P14635 12/20 0.55
CCNB2 O95067 11/20 0.55
CCNB3 Q8WWL7 11/20 0.55
CDK4 P11802 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
RET P07949 9/20 0.50
JAK2 O60674 2/20 0.50
PRKACA P17612 2/20 0.50
JAK3 P52333 2/20 0.50
PRKCQ Q04759 2/20 0.50
ROCK1 Q13464 2/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50

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
SCHEMBL3252142 0.80 CCNB2 (0.55) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL3244159 0.79 BRAF (0.60) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL3247301 0.78 CCNB2 (0.53) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL3246773 0.78 NUDT1 (0.61) CDK1CCNB1CCNB2CCNB3CDK4
SCHEMBL12127208 0.77 PRKCI (1.00) PRKCIRETJAK2PRKACAJAK3
SCHEMBL13357453 0.77 CDK1 (0.55) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL3244184 0.76 RET (0.49) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL3243466 0.76 RET (0.54) PRKCICDK1CCNB1CCNB2CCNB3
SCHEMBL12723152 0.76 CDK1 (0.54) CDK1CCNB1CCNB2CCNB3CDK4
SCHEMBL13991462 0.75 CDK1 (0.50) PRKCICDK1CCNB1CCNB2CCNB3

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 7 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 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 PRKCI 83/4885CDK1 38/4885CCNB1 535/4885

“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.