SCHEMBL3252006

SCHEMBL3252006

COc1cc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.77
CDK1 P06493 11/20 0.71
CCNB1 P14635 11/20 0.71
CCNB2 O95067 10/20 0.71
CCNB3 Q8WWL7 10/20 0.71
CDK2 P24941 4/20 0.63
CCNT1 O60563 2/20 0.63
CCNA2 P20248 2/20 0.63
CDK9 P50750 2/20 0.63
CDK4 P11802 1/20 0.58
GSK3B P49841 1/20 0.58
CCNE1 P24864 1/20 0.57
FLT3 P36888 1/20 0.57
CDK7 P50613 1/20 0.57
CCNH P51946 1/20 0.57
MNAT1 P51948 1/20 0.57

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
SCHEMBL3246779 0.91 CDK1 (0.74) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3776459 0.90 CDK1 (0.77) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL4509559 0.88 FLT3 (0.71) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3773981 0.87 RET (1.00) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3765467 0.84 RET (0.74) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3251716 0.84 SYK (0.56) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3776813 0.83 CCNB2 (1.00) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL3247142 0.82 CDK1 (0.73) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL12723413 0.82 FLT3 (0.56) RETCDK1CCNB1CCNB2CCNB3
SCHEMBL2544992 0.82 CCNB2 (1.00) 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 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-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

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.