SCHEMBL2388749

SCHEMBL2388749

O=[N+]([O-])c1c(Nc2ccc3[nH]ccc3c2)ncnc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.41
▸ FLT1 P17948 8/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ KDR P35968 4/20 0.38
▸ ULK1 O75385 1/20 0.37
▸ ABCC8 Q09428 2/20 0.36
▸ KCNJ11 Q14654 2/20 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
SCHEMBL2388022 0.82 ALK (0.44) EGFRKDRABCC8KCNJ11
SCHEMBL1292949 0.80 MAPT (0.43) EGFRKDR
SCHEMBL1293017 0.80 CA2 (0.55) EGFR
SCHEMBL2387912 0.78 MEN1 (0.41) EGFRKDRABCC8KCNJ11
SCHEMBL2302600 0.75 CA1 (0.56) EGFRFLT1KDRULK1
SCHEMBL1887897 0.71 S1PR1 (0.42) EGFREPHX2KDR
Hydrochloric Acid SCHEMBL8976403 0.66 EGFR (0.67) EGFRFLT1
SCHEMBL7119285 0.66 FLT1 (0.78) EGFRFLT1KDR
SCHEMBL1292961 0.66 CA2 (0.45) EGFR
SCHEMBL6252004 0.65 CA1 (0.65) EGFR

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 EGFR 1926/4885FLT1 3215/4885EPHX2 2648/4885

“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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