SCHEMBL2387912

SCHEMBL2387912

COc1ccc(Nc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2[N+](=O)[O-])cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PABPC1 P11940 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PIK3CA P42336 4/20 0.37
▸ PIK3CG P48736 3/20 0.37
▸ MTOR P42345 3/20 0.37
▸ PIP4K2A P48426 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PIK3CB P42338 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
SCHEMBL1292949 0.88 MAPT (0.43) MEN1KMT2ANPC1MAPTGAK
SCHEMBL2388022 0.83 ALK (0.44) MAPK1EGFRPOLBABCC8KCNJ11
SCHEMBL1293017 0.80 CA2 (0.55) MAPTEGFR
SCHEMBL2388749 0.78 EGFR (0.41) EGFRABCC8KCNJ11KDR
SCHEMBL2388912 0.74 CA1 (0.58) MEN1KMT2APABPC1NPC1MAPT
SCHEMBL2388018 0.73 MAPT (0.49) MAPTL3MBTL1ABCC8KCNJ11KDR
SCHEMBL12600746 0.73 MAPK1 (0.56) MEN1KMT2APABPC1NPC1MAPT
SCHEMBL12600392 0.73 MAPK1 (0.63) MEN1KMT2APABPC1NPC1MAPT
SCHEMBL2385227 0.71 EGFR (0.42) GAKEGFRABCG2
SCHEMBL1292961 0.66 CA2 (0.45) MAPTEGFR

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 MEN1 4310/4885KMT2A 1287/4885PABPC1 1377/4885

“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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