SCHEMBL1324570

SCHEMBL1324570

O=[N+]([O-])c1c(Nc2ccccc2)ncnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.51
▸ PRMT1 Q99873 4/20 0.50
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA13 Q8N1Q1 2/20 0.49
▸ MAPT P10636 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43

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
SCHEMBL6659419 0.84 YTHDC1 (0.47) EGFRCA1CA2CA7CA13
SCHEMBL4927860 0.81 CA1 (0.69) EGFRPRMT1CA1CA2CA7
SCHEMBL14027291 0.81 HTT (0.68) EGFRPRMT1CA1CA2CA7
SCHEMBL13401682 0.77 CA1 (0.51) EGFRPRMT1CA1CA2CA7
SCHEMBL6665131 0.75 ABCC8 (0.43) CA1CA2CA7CA13MAPT
SCHEMBL1325059 0.73 EGFR (0.50) EGFRMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL10814167 0.72 MAPT (0.57) EGFRCA1CA2CA7CA13
SCHEMBL16345563 0.72 PIN1 (0.52) EGFRPRMT1CA1CA2CA7
SCHEMBL1318876 0.71 HTT (0.56) EGFRPRMT1MAPTHTTGSK3B
SCHEMBL3344934 0.70 ABCG2 (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010040806-A1 NOVEL DIPHENYL PURINE 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 EGFR 3149/4885PRMT1 1154/4885CA1 4653/4885
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 EGFR 1926/4885PRMT1 1697/4885CA1 4819/4885

“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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