SCHEMBL6426328

SCHEMBL6426328

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.58
KDR P35968 8/20 0.52
AURKA O14965 3/20 0.46
CSF1R P07333 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FGFR1 P11362 2/20 0.45
GRM4 Q14833 2/20 0.43
MAOB P27338 1/20 0.43
AURKB Q96GD4 2/20 0.42

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
SCHEMBL6426502 0.89 KDR (0.46) SNCAKDRAURKA
SCHEMBL4144045 0.87 KDR (0.67) SNCAKDRAURKAFGFR1AURKB
SCHEMBL4144047 0.87 KDR (0.67) SNCAKDRAURKAFGFR1AURKB
SCHEMBL4146137 0.87 KDR (0.48) SNCAKDRAURKACSF1RPDGFRB
SCHEMBL4146141 0.87 KDR (0.48) SNCAKDRAURKACSF1RPDGFRB
SCHEMBL6426000 0.87 KDR (0.48) SNCAKDRAURKAFGFR1AURKB
SCHEMBL4152214 0.85 AURKA (0.55) SNCAKDRAURKACSF1RPDGFRB
SCHEMBL4152210 0.85 AURKA (0.55) SNCAKDRAURKACSF1RPDGFRB
SCHEMBL4136114 0.84 KDR (0.55) SNCAKDRAURKAFGFR1
SCHEMBL4136121 0.84 KDR (0.55) SNCAKDRAURKAFGFR1

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 SNCA 2130/4885KDR 1044/4885AURKA 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.