SCHEMBL3243466

SCHEMBL3243466

Cc1cc(Nc2nccc(-c3ccnc4[nH]ccc34)n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.54
▸ CDK1 P06493 5/20 0.54
▸ CCNB1 P14635 5/20 0.54
▸ CCNB2 O95067 4/20 0.54
▸ CCNB3 Q8WWL7 4/20 0.54
▸ BRAF P15056 1/20 0.53
▸ PRKCI P41743 2/20 0.47
▸ FLT3 P36888 2/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ PRKCQ Q04759 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ PRKCD Q05655 1/20 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
SCHEMBL3244159 0.86 BRAF (0.60) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3244184 0.85 RET (0.49) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3251689 0.84 CCNB2 (0.51) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3252142 0.84 CCNB2 (0.55) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL13357711 0.83 RET (0.50) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3249817 0.83 RET (0.50) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3246773 0.81 NUDT1 (0.61) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3244322 0.81 GSK3B (0.54) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL13357453 0.81 CDK1 (0.55) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3251716 0.81 SYK (0.56) RETCDK1CCNB1CCNB2CCNB3

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
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
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 RET 33/4885CDK1 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.

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