SCHEMBL6428772

SCHEMBL6428772

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
AURKA O14965 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
AURKB Q96GD4 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL5032378 0.91 KDR (0.48) KDRAURKASMN1; SMN2AURKBRAB9A
SCHEMBL5032432 0.91 KDR (0.47) KDRAURKASMN1; SMN2AURKBRAB9A
SCHEMBL6426287 0.87 KMT2A (0.45) KDRAURKASMN1; SMN2AURKBRAB9A
SCHEMBL6426072 0.87 KMT2A (0.47) KDRAURKASMN1; SMN2AURKBRAB9A
SCHEMBL6427891 0.87 MAPT (0.49) KDRAURKASMN1; SMN2RAB9ANPC1
SCHEMBL5032428 0.85 RAB9A (0.47) AURKASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5027599 0.84 KDR (0.46) KDRAURKASMN1; SMN2AURKBRAB9A
SCHEMBL4144045 0.84 KDR (0.67) KDRAURKAAURKBFGFR1
SCHEMBL4144047 0.84 KDR (0.67) KDRAURKAAURKBFGFR1
SCHEMBL6427313 0.83 KDR (0.45) KDRAURKAAURKBRAB9ANPC1

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 1044/4885AURKA 710/4885SMN1; SMN2 3772/4885

“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.