SCHEMBL3247345

SCHEMBL3247345

COc1ccnc2[nH]cc(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.56
GSK3B P49841 7/20 0.56
CDK9 P50750 4/20 0.54
CDK5 Q00535 4/20 0.54
CCNT1 O60563 3/20 0.54
CCNA2 P20248 3/20 0.54
CCNA1 P78396 3/20 0.54
CDK5R1 Q15078 3/20 0.54
AURKA O14965 3/20 0.52
RET P07949 2/20 0.52
CDK4 P11802 1/20 0.52
CLK4 Q9HAZ1 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
DYRK1A Q13627 1/20 0.51
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49

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
SCHEMBL13357718 0.87 CDK9 (0.57) CDK2GSK3BCDK9CDK5CCNT1
SCHEMBL3251377 0.85 CDK2 (0.57) CDK2GSK3BCDK9CDK5CCNT1
SCHEMBL3251529 0.85 CDK9 (0.57) CDK2GSK3BCDK9CDK5CCNT1
SCHEMBL13357713 0.84 CDK9 (0.65) CDK2GSK3BCDK9CDK5CCNT1
SCHEMBL15533895 0.81 GSK3B (0.58) CDK2GSK3BCDK9CDK5AURKA
SCHEMBL15534241 0.81 CLK1 (0.63) CDK2GSK3BCDK5AURKACDK4
SCHEMBL12274955 0.76 ABL1 (0.56) CDK2GSK3BCDK5CCNA2CCNA1
SCHEMBL5203806 0.76 CDK2 (0.65) CDK2GSK3BAURKACDK4CLK4
SCHEMBL30847342 0.76 ABL1 (0.57) CDK2GSK3BCDK9CCNT1CCNA2
SCHEMBL27109944 0.76 ABL1 (0.57) CDK2GSK3BCDK9CCNT1CCNA2

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 CDK2 9/4885GSK3B 164/4885CDK9 82/4885

“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.