SCHEMBL5439446

SCHEMBL5439446

COCCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.40
▸ FGFR1 P11362 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KLKB1 P03952 3/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL5439520 0.91 MAPT (0.46) MAPTHRH3PTGDR2MKNK1MKNK2
SCHEMBL5194991 0.89 MAPT (0.46) MAPTHRH3PTGDR2MKNK1MKNK2
SCHEMBL5439478 0.88 MAPT (0.45) MAPTHRH3PTGDR2MKNK1MKNK2
SCHEMBL5197304 0.88 MAPT (0.49) MAPTPTGDR2MKNK1MKNK2ALDH1A1
SCHEMBL5445008 0.88 MAPT (0.43) MAPTHRH3PTGDR2ALDH1A1CYP1A2
SCHEMBL5438385 0.87 MAPK14 (0.45) MAPTHRH3PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL8264094 0.86 MAPT (0.47) MAPTHRH3PTGDR2MKNK1MKNK2
SCHEMBL5437171 0.85 MAPT (0.44) MAPTHRH3PTGDR2MKNK1MKNK2
SCHEMBL5183820 0.85 PTGS2 (0.44) MAPTPTGDR2MKNK1MKNK2ALDH1A1
SCHEMBL5183183 0.84 MAPT (0.44) MAPTHRH3PTGDR2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — 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 (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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPT 2615/4885HRH3 193/4885FGFR1 1526/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885HRH3 242/4885FGFR1 1569/4885

“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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