SCHEMBL3246045

SCHEMBL3246045

Brc1cccc(Nc2nccc(-c3cnc4[nH]ccc4c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CB P42338 3/20 0.49
ABL1 P00519 7/20 0.46
BCR P11274 6/20 0.46
PRKCA P17252 4/20 0.46
EGFR P00533 4/20 0.46
SRC P12931 3/20 0.46
PRKCD Q05655 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
NUDT1 P36639 1/20 0.46
SYK P43405 1/20 0.46
CAMK2D Q13557 1/20 0.46
AXL P30530 1/20 0.45
CDK8 P49336 1/20 0.45
KDR P35968 2/20 0.44
PIK3CD O00329 1/20 0.44
PLK1 P53350 2/20 0.44

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
SCHEMBL27115591 0.87 CDK2 (0.55) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3252954 0.86 ABL1 (0.64) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL20998475 0.86 PLK1 (0.57) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3247346 0.84 CLK1 (0.59) CDK8KDRAURKA
SCHEMBL13357453 0.79 CDK1 (0.55) PIK3CGPIK3CAPIK3CBPRKCAEGFR
SCHEMBL27113508 0.75 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL14979755 0.74 PDGFRA (0.59) ABL1BCRPRKCAEGFRSRC
SCHEMBL27115342 0.74 JAK2 (0.57) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL6952728 0.72 ZAP70 (0.65) PIK3CGPIK3CAPIK3CBPRKCAEGFR
SCHEMBL3249838 0.71 CDK1 (0.76)

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 11 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
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 PIK3CG 89/4885PIK3CA 67/4885PIK3CB 61/4885

“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.