SCHEMBL6427043

SCHEMBL6427043

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.52
AURKA O14965 3/20 0.43
FGFR1 P11362 3/20 0.42
CHEK1 O14757 2/20 0.40
SNCA P37840 2/20 0.39
AURKB Q96GD4 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL4150555 0.89 KDR (0.54) KDRAURKAFGFR1CHEK1
SCHEMBL4150561 0.89 KDR (0.54) KDRAURKAFGFR1CHEK1
SCHEMBL4136114 0.89 KDR (0.55) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL4136121 0.89 KDR (0.55) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL4144045 0.88 KDR (0.67) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL4144047 0.88 KDR (0.67) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL4150087 0.85 KDR (0.50) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL4150084 0.85 KDR (0.50) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL6426090 0.84 KDR (0.51) KDRAURKAFGFR1CHEK1SNCA
SCHEMBL6427311 0.84 KDR (0.47) KDRAURKAFGFR1CHEK1SNCA

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 2 patents. 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 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 1044/4885AURKA 710/4885FGFR1 328/4885

“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.