SCHEMBL2386650

SCHEMBL2386650

Cc1nc(Oc2ccccc2F)c(N)c(-c2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.41
ALOX5AP P20292 11/20 0.40
FEN1 P39748 11/20 0.40
HSD11B1 P28845 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL2386527 0.88 ADORA2A (0.43) MPLALOX5APFEN1HSD11B1ADORA2A
SCHEMBL2307176 0.87 MPL (0.41) MPLALOX5APFEN1HSD11B1ADORA2A
SCHEMBL2390925 0.86 HSD11B1 (0.43) MPLALOX5APFEN1HSD11B1CYP1A2
SCHEMBL2388701 0.86 AR (0.38) MPLALOX5APFEN1HSD11B1CTSA
SCHEMBL2387260 0.85 USP2 (0.42) MPLALOX5APFEN1HSD11B1ALDH1A1
SCHEMBL2388021 0.84 MPL (0.40) MPLALOX5APFEN1HSD11B1ADORA2A
SCHEMBL2386528 0.84 L3MBTL1 (0.46) MPLALOX5APFEN1HSD11B1ADORA2A
SCHEMBL2388696 0.84 ALOX5AP (0.40) MPLALOX5APFEN1PDE2APDE10A
SCHEMBL2388782 0.83 MPL (0.42) MPLALOX5APFEN1HSD11B1ADORA2A
SCHEMBL2387951 0.82 KDM4E (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1

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 MPL 1319/4885ALOX5AP 1773/4885FEN1 4809/4885

“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.