SCHEMBL1893971

SCHEMBL1893971

Cc1nc(-c2ccc(O)cc2)c(N)c(-c2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.44
ALOX5AP P20292 5/20 0.44
MPL P40238 1/20 0.43
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
MAPK6 Q16659 1/20 0.42
APP P05067 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NTRK1 P04629 2/20 0.40
KIF11 P52732 1/20 0.40
USP7 Q93009 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.39
HSD11B1 P28845 1/20 0.39
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL1891048 0.90 FEN1 (0.49) FEN1ALOX5APMPLMAPK1MAP2K4
SCHEMBL1885446 0.86 MEN1 (0.47) FEN1ALOX5APMPLADORA2AMEN1
SCHEMBL1888242 0.82 FEN1 (0.49) FEN1ALOX5APMPLMAPK1MAP2K4
SCHEMBL1891742 0.80 MAP2K4 (0.48) FEN1ALOX5APMPLMAP2K4ADORA2A
SCHEMBL1891905 0.80 HSD11B1 (0.50) FEN1ALOX5APMPLADORA2AADORA1
SCHEMBL1894636 0.79 CTSA (0.45) FEN1ALOX5APMPLADORA2AADORA1
SCHEMBL1655716 0.77 ADORA2A (0.48) FEN1ALOX5APMPLMAPK1ADORA2A
SCHEMBL2386527 0.76 ADORA2A (0.43) FEN1ALOX5APMPLADORA2AKMT2A
SCHEMBL1893696 0.76 FEN1 (0.47) FEN1ALOX5APMPLMAPK1MAP2K4
SCHEMBL2386650 0.74 MPL (0.41) FEN1ALOX5APMPLADORA2AADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US claimed
CN-101970406-A Novel triaryl derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-02-09 CN claimed
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US disclosed
CN-101970406-A Novel triaryl derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2011-02-09 CN disclosed
EP-2262767-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-22 EP disclosed
WO-2009112461-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 FEN1 4851/4885ALOX5AP 2582/4885MPL 4052/4885

“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.