SCHEMBL4155003

SCHEMBL4155003

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.43
KDR P35968 13/20 0.42
AURKB Q96GD4 2/20 0.40
FGFR1 P11362 3/20 0.38
MAPK1 P28482 1/20 0.37
CHEK1 O14757 1/20 0.36
PLK4 O00444 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4155000 1.00 AURKA (0.43) AURKAKDRAURKBFGFR1MAPK1
SCHEMBL4150365 0.87 AURKA (0.44) AURKAKDRAURKBFGFR1MAPK1
SCHEMBL4150370 0.87 AURKA (0.44) AURKAKDRAURKBFGFR1MAPK1
SCHEMBL4156089 0.86 KDR (0.46) AURKAKDRAURKBFGFR1CHEK1
SCHEMBL4156083 0.86 KDR (0.46) AURKAKDRAURKBFGFR1CHEK1
SCHEMBL4159407 0.85 AURKA (0.46) AURKAKDRAURKBFGFR1MAPK1
SCHEMBL4159404 0.85 AURKA (0.46) AURKAKDRAURKBFGFR1MAPK1
SCHEMBL4153104 0.84 AURKA (0.47) AURKAKDRAURKBFGFR1CHEK1
SCHEMBL4153102 0.84 AURKA (0.47) AURKAKDRAURKBFGFR1CHEK1
SCHEMBL4151582 0.84 KDR (0.49) AURKAKDRAURKBFGFR1CHEK1

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 AURKA 726/4885KDR 932/4885AURKB 608/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885KDR 1044/4885AURKB 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.