SCHEMBL1292949

SCHEMBL1292949

COc1ccc(Nc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KIT P10721 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ GAK O14976 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL2387912 0.88 MEN1 (0.41) MAPTMEN1KMT2AEGFRGAK
SCHEMBL2388022 0.87 ALK (0.44) EGFRKDRPRMT1
SCHEMBL1293017 0.85 CA2 (0.55) MAPTKITEGFRPRMT1
SCHEMBL2388018 0.83 MAPT (0.49) MAPTRAB9AKITALDH1A1KDR
SCHEMBL2388749 0.80 EGFR (0.41) EGFRKDR
SCHEMBL1888269 0.74 MEN1 (0.43) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1292932 0.72 CA1 (0.65) MAPTRAB9AGAAPKMMEN1
SCHEMBL1885931 0.71 FEN1 (0.46) RAB9AKITKMT2AKDR
SCHEMBL5754394 0.70 DHODH (0.47) MAPTRAB9AALDH1A1HTTGAK
SCHEMBL9017041 0.70 EGFR (0.63) MAPTRAB9AHTTEGFRGAK

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 6 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-20110269778-A1 NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-11-03 — — US disclosed
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
EP-2350023-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2011-08-03 — — EP disclosed
WO-2010040806-A1 NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 — — WO disclosed
WO-2010040826-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 — — WO 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 (2 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-20110269778-A1 NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, P2RX6 MAPT 966/4885RAB9A 3063/4885GAA 3607/4885
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 MAPT 414/4885RAB9A 3216/4885GAA 2760/4885

“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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