SCHEMBL6446897

SCHEMBL6446897

O=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.50
AURKB Q96GD4 4/20 0.50
KDR P35968 6/20 0.49
STK33 Q9BYT3 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL6428261 1.00 AURKA (0.50) AURKAAURKBKDRSTK33KMT2A
SCHEMBL6427311 0.86 KDR (0.47) AURKAAURKBKDRKMT2AFGFR1
SCHEMBL4144607 0.84 AURKA (0.71) AURKAAURKBKDRKMT2AMEN1
SCHEMBL4144612 0.84 AURKA (0.71) AURKAAURKBKDRKMT2AMEN1
SCHEMBL4144047 0.84 KDR (0.67) AURKAAURKBKDRFGFR1
SCHEMBL4144045 0.84 KDR (0.67) AURKAAURKBKDRFGFR1
SCHEMBL4136121 0.83 KDR (0.55) AURKAKDRRAB9AFGFR1
SCHEMBL4136114 0.83 KDR (0.55) AURKAKDRRAB9AFGFR1
SCHEMBL6426090 0.83 KDR (0.51) AURKAAURKBKDRFGFR1
SCHEMBL4152811 0.83 AURKA (0.47) AURKAAURKBKDRFGFR1

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 AURKA 710/4885AURKB 579/4885KDR 1044/4885

“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.