SCHEMBL4289381

SCHEMBL4289381

Cn1cc(NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.70
FGFR1 P11362 5/20 0.70
KDR P35968 5/20 0.70
KEAP1 Q14145 3/20 0.55
IL1RN P18510 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
TAS2R8 Q9NYW2 1/20 0.52
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
NR1I2 O75469 1/20 0.49
TRIM24 O15164 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46
CYTH2 Q99418 1/20 0.46

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
SCHEMBL16854979 0.86 EGFR (0.54) EGFRFGFR1KDRMEN1ALDH1A1
SCHEMBL9953226 0.85 KEAP1 (0.54) EGFRFGFR1KDRKEAP1MEN1
SCHEMBL1850850 0.84 EGFR (0.53) EGFRFGFR1KDRMEN1ALDH1A1
SCHEMBL15219418 0.84 EGFR (0.59) EGFRFGFR1KDRKEAP1IL1RN
SCHEMBL4285713 0.79 EGFR (0.70) EGFRFGFR1KDRKEAP1IL1RN
SCHEMBL4561123 0.76 EGFR (0.53) EGFRFGFR1KDR
SCHEMBL4282959 0.76 TAS2R8 (0.63) EGFRFGFR1KDRKEAP1IL1RN
SCHEMBL28439897 0.75 DHX9 (0.51) EGFRFGFR1KDRKEAP1MEN1
Hydrochloric Acid SCHEMBL29505563 0.73 ALDH1A1 (0.44) EGFRFGFR1KDRALDH1A1CA12
SCHEMBL31011096 0.73 HTT (0.47) EGFRFGFR1KDRALDH1A1KMT2A

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 EGFR 4685/4885FGFR1 2577/4885KDR 3635/4885

“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.