SCHEMBL4294795

SCHEMBL4294795

CS(=O)(=O)Nc1cnn(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
KEAP1 Q14145 2/20 0.52
EGFR P00533 9/20 0.51
FGFR1 P11362 9/20 0.51
KDR P35968 9/20 0.51
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NFE2L2 Q16236 1/20 0.43
PGR P06401 1/20 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
SCHEMBL4285713 0.83 EGFR (0.70) ACLYKEAP1EGFRFGFR1KDR
SCHEMBL4291216 0.79 KDR (0.47) ACLYEGFRFGFR1KDRGAA
SCHEMBL4294936 0.78 ACLY (0.54) ACLYKEAP1EGFRFGFR1KDR
SCHEMBL19248968 0.78 GAA (0.53) ACLYEGFRFGFR1KDRDDB1
SCHEMBL25430970 0.76 DHX9 (0.71) KEAP1EGFRFGFR1KDRHPGDS
SCHEMBL30543980 0.76 DHX9 (0.71) KEAP1EGFRFGFR1KDRHPGDS
SCHEMBL4281610 0.74 EGFR (0.54) EGFRFGFR1KDRHPGDSALKBH2
SCHEMBL29664327 0.74 GAA (0.53) ACLYEGFRFGFR1KDRDDB1
SCHEMBL19358349 0.74 GAA (0.53) ACLYEGFRFGFR1KDRDDB1
SCHEMBL20438073 0.73 GAA (0.49) ACLYEGFRFGFR1KDRDDB1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP ACLY 2320/4885KEAP1 714/4885EGFR 4685/4885

“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.