SCHEMBL6426167

SCHEMBL6426167

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.52
SNCA P37840 3/20 0.45
AURKA O14965 4/20 0.44
FGFR1 P11362 3/20 0.42
CHEK1 O14757 1/20 0.41
AURKB Q96GD4 2/20 0.41
LMNA P02545 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
SCHEMBL4144047 0.87 KDR (0.67) KDRSNCAAURKAFGFR1CHEK1
SCHEMBL4144045 0.87 KDR (0.67) KDRSNCAAURKAFGFR1CHEK1
SCHEMBL4136114 0.84 KDR (0.55) KDRSNCAAURKAFGFR1CHEK1
SCHEMBL4136121 0.84 KDR (0.55) KDRSNCAAURKAFGFR1CHEK1
SCHEMBL6426328 0.82 SNCA (0.58) KDRSNCAAURKAFGFR1AURKB
SCHEMBL4151585 0.82 KDR (0.49) KDRAURKAFGFR1CHEK1AURKB
SCHEMBL4151582 0.82 KDR (0.49) KDRAURKAFGFR1CHEK1AURKB
SCHEMBL6446897 0.82 AURKA (0.50) KDRAURKAFGFR1AURKB
SCHEMBL6428772 0.82 KDR (0.49) KDRAURKAFGFR1AURKB
SCHEMBL6428261 0.82 AURKA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 (1 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885SNCA 2130/4885AURKA 710/4885

“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.