SCHEMBL2387952

SCHEMBL2387952

COc1ccc(Oc2nc(C)nc(-c3ccc(C(F)(F)F)cc3F)c2N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.41
CTSA P10619 1/20 0.40
HSD11B1 P28845 1/20 0.39
CACNA1D Q01668 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MPL P40238 1/20 0.36
CRHR1 P34998 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL2390925 0.92 HSD11B1 (0.43) MAPTCTSAHSD11B1MPLALOX5AP
SCHEMBL2386528 0.88 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1RAB9AHSD11B1
SCHEMBL2388300 0.85 MEN1 (0.38) L3MBTL1MAPTNPSR1RAB9ACTSA
SCHEMBL2307176 0.82 MPL (0.41) L3MBTL1MAPTRAB9AHSD11B1MPL
SCHEMBL2388021 0.81 MPL (0.40) L3MBTL1MAPTNPSR1RAB9AHSD11B1
SCHEMBL2386650 0.81 MPL (0.41) CTSAHSD11B1MPLALOX5APCYP1A2
SCHEMBL2386527 0.81 ADORA2A (0.43) L3MBTL1MAPTNPSR1RAB9AHSD11B1
SCHEMBL1894636 0.81 CTSA (0.45) CTSAHSD11B1MPLALOX5APFEN1
SCHEMBL1885446 0.79 MEN1 (0.47) L3MBTL1RAB9AMEN1KMT2AMPL
SCHEMBL2388782 0.79 MPL (0.42) L3MBTL1MAPTNPSR1HSD11B1MEN1

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 L3MBTL1 3753/4885MAPT 414/4885NPSR1 103/4885

“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.