SCHEMBL3244159

SCHEMBL3244159

Cc1ccnc(Nc2nccc(-c3ccnc4[nH]ccc34)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.60
CCNB2 O95067 10/20 0.51
CDK1 P06493 10/20 0.51
CCNB1 P14635 10/20 0.51
CCNB3 Q8WWL7 10/20 0.51
PRKCI P41743 2/20 0.50
RET P07949 8/20 0.49
JAK2 O60674 2/20 0.47
PRKACA P17612 2/20 0.47
JAK3 P52333 2/20 0.47
PRKCQ Q04759 2/20 0.47
ROCK1 Q13464 2/20 0.47
ROCK2 O75116 1/20 0.47
PRKCA P17252 1/20 0.47
FLT3 P36888 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCD Q05655 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46

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
SCHEMBL3243466 0.86 RET (0.54) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL3252142 0.82 CCNB2 (0.55) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL12127819 0.80 PRKCI (0.63) BRAFPRKCIRETJAK2PRKACA
SCHEMBL3247301 0.80 CCNB2 (0.53) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL12347396 0.80 BRAF (0.60) BRAFPRKCIRETJAK2PRKACA
SCHEMBL13357711 0.79 RET (0.50) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL3249817 0.79 RET (0.50) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL3250833 0.79 PRKCI (0.62) BRAFCCNB2CDK1CCNB1CCNB3
SCHEMBL3251716 0.79 SYK (0.56) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3244184 0.78 RET (0.49) BRAFCCNB2CDK1CCNB1CCNB3

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 BRAF 216/4885CCNB2 374/4885CDK1 38/4885

“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.