SCHEMBL4156089

SCHEMBL4156089

O=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.46
AURKA O14965 5/20 0.45
AURKB Q96GD4 3/20 0.41
DYRK1A Q13627 1/20 0.41
CHEK1 O14757 4/20 0.40
FGFR1 P11362 3/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38

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
SCHEMBL4156083 1.00 KDR (0.46) KDRAURKAAURKBDYRK1ACHEK1
SCHEMBL4153102 0.88 AURKA (0.47) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4153104 0.88 AURKA (0.47) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4150370 0.87 AURKA (0.44) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4150365 0.87 AURKA (0.44) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4151582 0.87 KDR (0.49) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4151585 0.87 KDR (0.49) KDRAURKAAURKBCHEK1FGFR1
SCHEMBL4159407 0.86 AURKA (0.46) KDRAURKAAURKBFGFR1
SCHEMBL4159404 0.86 AURKA (0.46) KDRAURKAAURKBFGFR1
SCHEMBL28755382 0.86 KDR (0.44) KDRAURKAAURKBCHEK1FGFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDR 932/4885AURKA 726/4885AURKB 608/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885AURKA 710/4885AURKB 579/4885

“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.