SCHEMBL5433829

SCHEMBL5433829

COc1c(C)cc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PTGDR2 Q9Y5Y4 6/20 0.43
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ SDHB P21912 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
SCHEMBL5435948 0.88 MAPT (0.45) MAPTPTGDR2MKNK1MKNK2HCRTR1
SCHEMBL5197304 0.85 MAPT (0.49) MAPTPTGDR2MKNK1MKNK2HCRTR1
SCHEMBL5441458 0.83 MAPT (0.47) MAPTPTGDR2MKNK1MKNK2HCRTR1
SCHEMBL5433766 0.83 NAAA (0.47) MAPTPTGDR2MKNK1MKNK2HCRTR1
SCHEMBL5184363 0.81 KDR (0.45) MAPTPTGDR2MKNK1MKNK2
SCHEMBL8264087 0.79 MAPT (0.52) MAPTPTGDR2MKNK1MKNK2SMN1; SMN2
SCHEMBL5184935 0.79 MAPT (0.52) MAPTPTGDR2MKNK1MKNK2SMN1; SMN2
SCHEMBL5439446 0.78 MAPT (0.44) MAPTPTGDR2MKNK1MKNK2SMN1; SMN2
SCHEMBL16275048 0.78 MAPT (0.51) MAPTPTGDR2MKNK1MKNK2SMN1; SMN2
Hydrochloric Acid SCHEMBL5184655 0.78 MAPT (0.51) MAPTPTGDR2MKNK1MKNK2SMN1; SMN2

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 2615/4885PTGDR2 85/4885MKNK1 2293/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885PTGDR2 78/4885MKNK1 1868/4885

“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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