SCHEMBL1894636

SCHEMBL1894636

COc1ccc(-c2nc(C)nc(-c3ccc(C(F)(F)F)cc3F)c2N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALOX5AP P20292 3/20 0.44
FEN1 P39748 2/20 0.44
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 6/20 0.41
PTGS1 P23219 3/20 0.41
MAPK14 Q16539 1/20 0.38
MPL P40238 1/20 0.38
CASR P41180 2/20 0.37

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 0.84 MEN1 (0.47) ADORA2AALOX5APFEN1MPL
SCHEMBL2390925 0.82 HSD11B1 (0.43) CTSAALOX5APFEN1HSD11B1MPL
SCHEMBL2387952 0.81 L3MBTL1 (0.42) CTSAALOX5APFEN1HSD11B1MPL
SCHEMBL1893971 0.79 FEN1 (0.44) ADORA2AADORA1ALOX5APFEN1HSD11B1
SCHEMBL1891905 0.78 HSD11B1 (0.50) CTSAADORA2AADORA1ALOX5APFEN1
SCHEMBL1891742 0.76 MAP2K4 (0.48) ADORA2AADORA1ALOX5APFEN1PTGS2
SCHEMBL1655716 0.76 ADORA2A (0.48) ADORA2AADORA1ALOX5APFEN1MPL
SCHEMBL2388300 0.73 MEN1 (0.38) CTSAADORA2AALOX5APFEN1HSD11B1
SCHEMBL2386528 0.73 L3MBTL1 (0.46) ADORA2AALOX5APFEN1HSD11B1MPL
SCHEMBL2386650 0.73 MPL (0.41) CTSAADORA2AADORA1ALOX5APFEN1

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 2 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
US-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 CTSA 1864/4885ADORA2A 737/4885ADORA1 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.