SCHEMBL13232575

SCHEMBL13232575

CC#Cc1cccc(N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.47
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
FFAR1 O14842 1/20 0.35
NOTUM Q6P988 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NSD2 O96028 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
SCHEMBL2876029 0.79 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1MAPTAPP
SCHEMBL1039993 0.77 ALDH1A1 (0.48) ALDH1A1TSHRNOTUMNPC1RAB9A
SCHEMBL151270 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2NPC1RAB9A
SCHEMBL171338 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A1CYP1B1FFAR1
SCHEMBL25969152 0.76 CRHBP (0.46) CYP1A1CYP1A2CYP1B1FFAR1HSD17B10
SCHEMBL4391221 0.74 ALDH1A1 (0.67) ALDH1A1TSHRNOTUMNPC1RAB9A
SCHEMBL8028758 0.73 ALDH1A1 (0.55) ALDH1A1TSHRCYP1A1CYP1A2CYP1B1
SCHEMBL23704113 0.71 ACHE (0.57) ALDH1A1CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL29433431 0.71 CYP3A4 (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL1507506 0.71 CYP3A4 (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1FFAR1

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 7 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
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

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 ALDH1A1 2839/4885TSHR 468/4885CYP1A1 1713/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 ALDH1A1 2815/4885TSHR 468/4885CYP1A1 1693/4885

“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.