SCHEMBL4150561

SCHEMBL4150561

O=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.54
GAA P10253 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
HDAC1 Q13547 1/20 0.47
ABCB1 P08183 1/20 0.47
FGFR1 P11362 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CHEK1 O14757 2/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL4150555 1.00 KDR (0.54) KDRGAAAAK1HDAC1ABCB1
SCHEMBL6427043 0.89 KDR (0.52) KDRFGFR1CHEK1AURKA
SCHEMBL4144047 0.89 KDR (0.67) KDRFGFR1CHEK1AURKA
SCHEMBL4144045 0.89 KDR (0.67) KDRFGFR1CHEK1AURKA
SCHEMBL4136121 0.88 KDR (0.55) KDRFGFR1CHEK1AURKA
SCHEMBL4136114 0.88 KDR (0.55) KDRFGFR1CHEK1AURKA
SCHEMBL4150087 0.85 KDR (0.50) KDRFGFR1KDM4ECHEK1AURKA
SCHEMBL6426502 0.85 KDR (0.46) KDRHDAC1KDM4ECHEK1AURKA
SCHEMBL4150084 0.85 KDR (0.50) KDRFGFR1KDM4ECHEK1AURKA
SCHEMBL4137016 0.84 AURKA (0.58) KDRGAACHEK1AURKA

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 932/4885GAA 4511/4885AAK1 1155/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885GAA 4714/4885AAK1 922/4885

“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.