SCHEMBL3246773

SCHEMBL3246773

Clc1cccc(Nc2nccc(-c3ccnc4[nH]ccc34)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.61
CAMK2D Q13557 5/20 0.60
ABL1 P00519 1/20 0.58
BCR P11274 1/20 0.58
PRKCA P17252 1/20 0.58
PRKCD Q05655 1/20 0.58
CDK2 P24941 3/20 0.57
CDK4 P11802 1/20 0.57
CDK1 P06493 3/20 0.56
RET P07949 2/20 0.56
CCNB2 O95067 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
EIF2AK2 P19525 2/20 0.55
PLK1 P53350 1/20 0.55
TTBK1 Q5TCY1 1/20 0.55
TTBK2 Q6IQ55 1/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55

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
SCHEMBL3617870 0.88 EIF2AK2 (0.59) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL13357453 0.87 CDK1 (0.55) NUDT1CAMK2DPRKCAPRKCDCDK2
SCHEMBL3244184 0.86 RET (0.49) NUDT1CAMK2DCDK1RETCCNB2
SCHEMBL3251717 0.86 CDK1 (0.76) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL3247308 0.84 PIK3CG (0.65) CAMK2DCDK2CDK4CDK1RET
SCHEMBL3247348 0.84 AURKA (0.58) CDK2CDK4CDK1RETCCNB2
SCHEMBL3244322 0.83 GSK3B (0.54) NUDT1ABL1BCRCDK2CDK1
SCHEMBL3246795 0.82 NUDT1 (0.62) NUDT1CAMK2DABL1BCRPRKCA
SCHEMBL3243466 0.81 RET (0.54) NUDT1PRKCAPRKCDCDK2CDK1
SCHEMBL3605758 0.81 FADS1 (0.62) CAMK2DABL1BCRPRKCAPRKCD

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 NUDT1 3955/4885CAMK2D 12/4885ABL1 13/4885

“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.