SCHEMBL3246795

SCHEMBL3246795

Clc1cccc(Nc2nccc(-c3ccnc4[nH]ncc34)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.62
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60
PRKCA P17252 1/20 0.60
PRKCD Q05655 1/20 0.60
CAMK2D Q13557 5/20 0.56
CDK2 P24941 4/20 0.56
CDK4 P11802 1/20 0.56
EIF2AK2 P19525 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
PLK1 P53350 1/20 0.51
CSNK2A1 P68400 2/20 0.49
CDK1 P06493 1/20 0.47
SMG1 Q96Q15 1/20 0.47

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
SCHEMBL3247312 0.87 NUDT1 (0.48) NUDT1ABL1BCRPRKCAPRKCD
SCHEMBL3252559 0.84 CDK2 (0.57) PRKCAPRKCDCDK2CDK4SMG1
SCHEMBL3246773 0.82 NUDT1 (0.61) NUDT1ABL1BCRPRKCAPRKCD
SCHEMBL3605758 0.81 FADS1 (0.62) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL28201525 0.81 ABL1 (0.63) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3247335 0.80 EIF2AK2 (0.62) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3600187 0.80 ABL1 (0.65) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3605722 0.80 ABL1 (0.65) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3602654 0.78 ABL1 (0.59) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3600200 0.78 CDK2 (0.64) ABL1BCRPRKCAPRKCDCAMK2D

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 NUDT1 3955/4885ABL1 13/4885BCR 337/4885

“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.