SCHEMBL3244117

SCHEMBL3244117

FC(F)(F)c1ccc(Nc2nccc(-c3ccnc4[nH]ccc34)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ GSK3B P49841 2/20 0.51
▸ CCNB2 O95067 5/20 0.50
▸ CDK1 P06493 5/20 0.50
▸ CCNB1 P14635 5/20 0.50
▸ CCNB3 Q8WWL7 5/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ RET P07949 6/20 0.48
▸ TTBK1 Q5TCY1 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKACA P17612 1/20 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
SCHEMBL3247348 0.86 AURKA (0.58) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL3247301 0.86 CCNB2 (0.53) SYKCDK2CCNB2CDK1CCNB1
SCHEMBL3252142 0.86 CCNB2 (0.55) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL3252563 0.85 ABL1 (0.69) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL3252733 0.83 CCNB2 (0.74) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL13991462 0.81 CDK1 (0.50) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL3244322 0.81 GSK3B (0.54) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL3252342 0.79 IKBKB (0.52) CDK2GSK3BCCNB2CDK1CCNB1
SCHEMBL858003 0.77 IKBKB (0.64) RETIKBKBCHUKPRKCIJAK2
SCHEMBL3244159 0.77 BRAF (0.60) GSK3BCCNB2CDK1CCNB1CCNB3

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 SYK 109/4885CDK2 9/4885GSK3B 164/4885

“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.

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