SCHEMBL3590157

SCHEMBL3590157

CC(C)(C)OC(=O)NCCN(C1CCNCC1)S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.44
CHUK O15111 14/20 0.44
BRD4 O60885 3/20 0.42
BRDT Q58F21 3/20 0.42
EGFR P00533 1/20 0.42
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL3591825 0.87 JAK2 (0.47) IKBKB
SCHEMBL3587149 0.83 IKBKB (0.49) IKBKBCHUKEGFR
SCHEMBL4622267 0.81 MAPT (0.39) EGFR
SCHEMBL3590831 0.79 IKBKB (0.53) IKBKBCHUKEGFR
SCHEMBL4622635 0.79 ACHE (0.42)
SCHEMBL4881265 0.78 MEN1 (0.42) IKBKBCHUK
SCHEMBL4622719 0.76 MEN1 (0.46) IKBKBCHUKEGFR
Hydrochloric Acid SCHEMBL4883215 0.76 MEN1 (0.45) IKBKBCHUKEGFR
SCHEMBL4622257 0.75 MEN1 (0.48) IKBKB
SCHEMBL3594259 0.75 JAK2 (0.40)

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 3 patents. 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
EP-2111395-A1 NEW PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINES DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-10-28 EP disclosed
WO-2008099074-A1 PHENYL- (4-PHENYL-PYRIMIDIN-2-YL) - AMINE DERIVATIVES AS IKK INHIBITORS, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO 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 4/4885BRD4 508/4885

“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.