SCHEMBL171298

SCHEMBL171298

Cc1ccc(Oc2ccnc(N3CCOCC3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.55
▸ CYP2C19 P33261 5/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ PIK3CA P42336 4/20 0.51
▸ LRRK2 Q5S007 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 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
SCHEMBL11959104 0.87 HRH4 (0.47) MAPK13CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL13232321 0.85 HRH4 (0.49) MAPK13LRRK2
SCHEMBL17310231 0.82 LRRK2 (0.62) MAPK13CYP2C19CYP1A2ALDH1A1PIK3CA
SCHEMBL24037401 0.80 MAPK13 (0.47) MAPK13CYP2C19PIK3CALRRK2AKT1
SCHEMBL827848 0.80 PIK3CA (0.58) CYP2C19CYP1A2ALDH1A1CYP2C9PIK3CA
SCHEMBL15867084 0.78 MAPK1 (0.57) CYP2C19CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL17850466 0.78 LRRK2 (0.55) CYP2C19PIK3CALRRK2PIK3CDCDK1
SCHEMBL21345910 0.77 MAPK1 (0.50) CYP2C19CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL17426480 0.75 PIK3CA (0.54) MAPK13CYP2C19ALDH1A1PIK3CALRRK2
SCHEMBL28664080 0.75 PIK3CA (0.54) MAPK13CYP2C19ALDH1A1PIK3CALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 — — US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 — — US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 — — US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 — — US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 — — US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 — — US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 — — EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 — — US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 — — US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 — — 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 MAPK13 2652/4885CYP2C19 676/4885CYP1A2 681/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPK13 2664/4885CYP2C19 674/4885CYP1A2 678/4885

“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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