SCHEMBL1655716

SCHEMBL1655716

COc1ccc(-c2nc(N)nc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
KDM4E B2RXH2 1/20 0.47
ADORA1 P30542 4/20 0.46
KMT2A Q03164 2/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MPL P40238 1/20 0.42
DHFR P00374 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 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
SCHEMBL1885446 0.92 MEN1 (0.47) ADORA2AKDM4EKMT2AALOX5APFEN1
SCHEMBL1885931 0.86 FEN1 (0.46) KDM4EKMT2AALOX5APFEN1RAB9A
SCHEMBL1891048 0.84 FEN1 (0.49) ADORA2AADORA1ALOX5APFEN1MPL
SCHEMBL1655315 0.79 FEN1 (0.44) KDM4EKMT2AALOX5APFEN1RAB9A
SCHEMBL2386528 0.78 L3MBTL1 (0.46) ADORA2AKDM4EKMT2AALOX5APFEN1
SCHEMBL1658180 0.77 FEN1 (0.47) ALOX5APFEN1RAB9AL3MBTL1MPL
SCHEMBL1893971 0.77 FEN1 (0.44) ADORA2AADORA1KMT2AALOX5APFEN1
SCHEMBL1885330 0.77 L3MBTL1 (0.46) KDM4EKMT2AALOX5APFEN1RAB9A
SCHEMBL1894636 0.76 CTSA (0.45) ADORA2AADORA1ALOX5APFEN1MPL
SCHEMBL1894022 0.75 RECQL (0.47) KMT2AALOX5APFEN1RAB9AL3MBTL1

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 7 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
JP-2011513460-A 2011-04-28 JP claimed
EP-2262767-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-22 EP claimed
WO-2009112461-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 WO claimed
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 US 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 ADORA2A 737/4885KDM4E 3030/4885ADORA1 488/4885

“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.