SCHEMBL4157293

SCHEMBL4157293

O=C(Nc1ccccc1)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.53
AURKA O14965 3/20 0.50
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FGFR1 P11362 4/20 0.48
AURKB Q96GD4 1/20 0.46
CHEK1 O14757 1/20 0.45

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
SCHEMBL4157289 1.00 KDR (0.53) KDRAURKANPC1HTTRAB9A
SCHEMBL4144045 0.87 KDR (0.67) KDRAURKAFGFR1AURKBCHEK1
SCHEMBL4144047 0.87 KDR (0.67) KDRAURKAFGFR1AURKBCHEK1
SCHEMBL4156083 0.84 KDR (0.46) KDRAURKAFGFR1AURKBCHEK1
SCHEMBL4156089 0.84 KDR (0.46) KDRAURKAFGFR1AURKBCHEK1
SCHEMBL4151585 0.84 KDR (0.49) KDRAURKARAB9AFGFR1AURKB
SCHEMBL4151582 0.84 KDR (0.49) KDRAURKARAB9AFGFR1AURKB
SCHEMBL4149972 0.84 MAPK1 (0.49) KDRAURKASMN1; SMN2FGFR1AURKB
SCHEMBL4149976 0.84 MAPK1 (0.49) KDRAURKASMN1; SMN2FGFR1AURKB
SCHEMBL4159407 0.84 AURKA (0.46) KDRAURKAFGFR1AURKB

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 726/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885AURKA 710/4885NPC1 3703/4885

“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.