SCHEMBL3591370

SCHEMBL3591370

Cc1nc(C)c(CCNC2CCN(S(=O)(=O)c3ccc(Nc4nccc(-c5ccc(F)cc5)n4)cc3)CC2)s1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.52
CHUK O15111 15/20 0.52
EGFR P00533 3/20 0.48

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
SCHEMBL3591372 0.85 IKBKB (0.52) IKBKBCHUKEGFR
SCHEMBL3305180 0.83 MEN1 (0.43) IKBKBCHUKEGFR
SCHEMBL3595943 0.82 IKBKB (0.61) IKBKBCHUK
SCHEMBL13440368 0.78 IKBKB (0.60) IKBKBCHUK
SCHEMBL3585027 0.76 IKBKB (0.52) IKBKBCHUKEGFR
SCHEMBL3586464 0.75 IKBKB (0.51) IKBKBCHUKEGFR
SCHEMBL3592664 0.75 IKBKB (0.55) IKBKBCHUKEGFR
SCHEMBL13392085 0.75 RAB9A (0.47) IKBKBCHUK
SCHEMBL3594326 0.75 IKBKB (0.51) IKBKBCHUKEGFR
SCHEMBL13392487 0.74 MAPT (0.51) IKBKBCHUK

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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE IKBKB 1/4885CHUK 4/4885EGFR 1923/4885

“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.