SCHEMBL171893

SCHEMBL171893

Cc1ccc(CNc2nccs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ADRB2 P07550 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4602071 0.83 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3635025 0.82 KDM4E (0.60) KDM4ESMN1; SMN2RAB9ANPC1HPGD
SCHEMBL648507 0.82 MAPT (0.60) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL15011086 0.82 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13210757 0.81 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL9618481 0.79 SCN3A (0.60) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL7993400 0.77 AGER (0.63) KDM4ESMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL17199017 0.77 KDM4E (0.80) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL30855001 0.76 NCF1 (0.51) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2688165 0.76 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346798-B2 Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors AMGEN INC. (US) 2016-05-24 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-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-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. 2015-02-26 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-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 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 (4 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-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS SCN5A, KCNH1, KCNQ5 KDM4E 1498/4885SMN1; SMN2 525/4885RAB9A 2336/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 KDM4E 1547/4885SMN1; SMN2 1849/4885RAB9A 2790/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 KDM4E 1551/4885SMN1; SMN2 1847/4885RAB9A 2765/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 KDM4E 262/4885SMN1; SMN2 2746/4885RAB9A 2101/4885

“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.