SCHEMBL3603377

SCHEMBL3603377

CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc(Nc3nccc(Cl)n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
IKBKB O14920 12/20 0.43
CHUK O15111 12/20 0.43
SYK P43405 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
GRM4 Q14833 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 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
SCHEMBL3299314 0.84 IKBKB (0.42) GFERIKBKBCHUKSYKTRPV4
SCHEMBL30050129 0.80 POLB (0.50) GFERTRPV4
SCHEMBL3591634 0.79 GPR119 (0.46) CDK2
SCHEMBL23906851 0.77 PLK1 (0.44) SYKCDK2
SCHEMBL30086682 0.77 PLK1 (0.44) SYKCDK2
SCHEMBL27785926 0.77 L3MBTL1 (0.44) SYKCDK2
SCHEMBL1870053 0.75 TGM2 (0.66) GFER
SCHEMBL16854383 0.74 PDE10A (0.46)
SCHEMBL7520289 0.74 EPHX2 (0.48) GFERTRPV4CDK2
SCHEMBL3297769 0.73 CDK2 (0.49) IKBKBCHUKCCNE1CDK2

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 GFER 4258/4885IKBKB 1/4885CHUK 4/4885

“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.