SCHEMBL2385227

SCHEMBL2385227

Nc1c(Nc2ccc(O)nc2)ncnc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.42
▸ FEN1 P39748 5/20 0.40
▸ ALOX5AP P20292 4/20 0.40
▸ FLT3 P36888 1/20 0.36
▸ MPL P40238 1/20 0.36
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ KCNQ1 P51787 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL2388395 0.88 EGFR (0.44) EGFRFEN1ALOX5APFLT3MPL
SCHEMBL1292961 0.80 CA2 (0.45) EGFRFEN1ALOX5APKIT
SCHEMBL1886975 0.73 FEN1 (0.47) FEN1ALOX5APMPL
SCHEMBL2388022 0.73 ALK (0.44) EGFRMPL
SCHEMBL1888242 0.72 FEN1 (0.49) FEN1ALOX5APMPL
SCHEMBL1886977 0.71 MPL (0.46) FEN1ALOX5APMPL
SCHEMBL2387912 0.71 MEN1 (0.41) EGFRGAKABCG2
SCHEMBL1894022 0.69 RECQL (0.47) FEN1ALOX5APMPLKIT
SCHEMBL2390339 0.68 ALOX5AP (0.40) FEN1ALOX5APFLT3MPL
SCHEMBL1292949 0.67 MAPT (0.43) EGFRGAKKITABCG2

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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 — — US claimed
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 — — 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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 EGFR 1926/4885FEN1 4809/4885ALOX5AP 1773/4885

“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.

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