SCHEMBL4136314

SCHEMBL4136314

CC(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
FGFR1 P11362 2/20 0.46
MAPK1 P28482 8/20 0.45
RAB9A P51151 1/20 0.44
TDO2 P48775 1/20 0.43
PLK4 O00444 1/20 0.42
AURKA O14965 2/20 0.41

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
SCHEMBL4136307 1.00 KDR (0.46) KDRFGFR1MAPK1RAB9ATDO2
SCHEMBL13927838 0.86 ABL1 (0.48) KDRMAPK1
SCHEMBL5032428 0.83 RAB9A (0.47) MAPK1RAB9AAURKA
SCHEMBL4151585 0.81 KDR (0.49) KDRFGFR1RAB9APLK4AURKA
SCHEMBL4151582 0.81 KDR (0.49) KDRFGFR1RAB9APLK4AURKA
SCHEMBL4149516 0.77 RAB9A (0.43) KDRFGFR1RAB9APLK4
SCHEMBL4149523 0.77 RAB9A (0.43) KDRFGFR1RAB9APLK4
SCHEMBL4144917 0.76 AURKA (0.41) KDRFGFR1AURKA
SCHEMBL4144522 0.76 AURKA (0.41) KDRFGFR1AURKA
SCHEMBL4139956 0.73 AURKA (0.51) KDRFGFR1PLK4AURKA

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 932/4885FGFR1 278/4885MAPK1 7/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885FGFR1 328/4885MAPK1 6/4885

“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.