SCHEMBL2388022

SCHEMBL2388022

O=[N+]([O-])c1c(Nc2ccc(O)cc2)ncnc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.44
▸ PRMT1 Q99873 6/20 0.42
▸ GUCY1B2 O75343 1/20 0.38
▸ GUCY1A2 P33402 1/20 0.38
▸ GUCY1A1 Q02108 1/20 0.38
▸ GUCY1B1 Q02153 1/20 0.38
▸ ABCC8 Q09428 2/20 0.38
▸ KCNJ11 Q14654 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ MPL P40238 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ POLB P06746 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
SCHEMBL1293017 0.87 CA2 (0.55) PRMT1CA1CA2CA7CA13
SCHEMBL1292949 0.87 MAPT (0.43) PRMT1EGFRKDR
SCHEMBL2387912 0.83 MEN1 (0.41) ABCC8KCNJ11MAPK1EGFRKDR
SCHEMBL2388749 0.82 EGFR (0.41) ABCC8KCNJ11EGFRKDR
SCHEMBL2388395 0.82 EGFR (0.44) ALKMPLEGFR
SCHEMBL2385227 0.73 EGFR (0.42) MPLEGFR
SCHEMBL1292961 0.72 CA2 (0.45) CA1CA2CA7CA13KIF11
SCHEMBL6252004 0.72 CA1 (0.65) PRMT1CA1CA2CA7CA13
SCHEMBL2388018 0.69 MAPT (0.49) ABCC8KCNJ11KDR
SCHEMBL5801619 0.69 TRPV1 (0.53) —

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 ALK 672/4885PRMT1 1697/4885GUCY1B2 1252/4885

“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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