SCHEMBL1894022

SCHEMBL1894022

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.43
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
NCOA1 Q15788 2/20 0.43
NCOA3 Q9Y6Q9 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43
MEN1 O00255 3/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL1884677 0.88 ALOX5AP (0.47) MAPTALOX5APFEN1MAPK1HTT
SCHEMBL1885931 0.87 FEN1 (0.46) KMT2AALOX5APFEN1RAB9AKIT
SCHEMBL1886975 0.87 FEN1 (0.47) KMT2AMAPTALOX5APFEN1MEN1
SCHEMBL2308521 0.83 L3MBTL1 (0.47) KMT2AMAPTALOX5APFEN1MEN1
SCHEMBL1888242 0.81 FEN1 (0.49) ALOX5APFEN1MAPK1USP7MPL
SCHEMBL2390339 0.81 ALOX5AP (0.40) MAPTALOX5APFEN1MPL
SCHEMBL1655716 0.75 ADORA2A (0.48) KMT2AMAPTALOX5APFEN1NCOA1
SCHEMBL1886977 0.75 MPL (0.46) ALOX5APFEN1MPL
SCHEMBL1885446 0.74 MEN1 (0.47) KMT2AALOX5APFEN1MEN1RAB9A
SCHEMBL2388395 0.74 EGFR (0.44) ALOX5APFEN1MPL

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 RECQL 2539/4885KMT2A 1947/4885MAPT 2044/4885

“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.