SCHEMBL1884677

SCHEMBL1884677

COc1ccc(-c2ncnc(-c3ccc(C(F)(F)F)cc3F)c2N)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.47
FEN1 P39748 3/20 0.47
KIT P10721 1/20 0.45
CACNA1D Q01668 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL1894022 0.88 RECQL (0.47) ALOX5APFEN1KITL3MBTL1RAB9A
SCHEMBL1885931 0.87 FEN1 (0.46) ALOX5APFEN1KITL3MBTL1RAB9A
SCHEMBL2308521 0.83 L3MBTL1 (0.47) ALOX5APFEN1KITL3MBTL1RAB9A
SCHEMBL27826168 0.82 ALOX5AP (0.50) ALOX5APFEN1CACNA1DL3MBTL1RAB9A
SCHEMBL1655716 0.75 ADORA2A (0.48) ALOX5APFEN1L3MBTL1RAB9AMAPT
SCHEMBL1886977 0.75 MPL (0.46) ALOX5APFEN1MPL
SCHEMBL1885446 0.74 MEN1 (0.47) ALOX5APFEN1L3MBTL1RAB9AMPL
SCHEMBL1886975 0.74 FEN1 (0.47) ALOX5APFEN1MAPTSCN9AGFER
SCHEMBL2390339 0.74 ALOX5AP (0.40) ALOX5APFEN1MAPTMPL
SCHEMBL1888242 0.73 FEN1 (0.49) ALOX5APFEN1MAPK1MPL

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 ALOX5AP 2582/4885FEN1 4851/4885KIT 2345/4885

“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.