SCHEMBL5437018

SCHEMBL5437018

CC(C)Cn1ccc(-c2cccs2)c(C#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
PIM1 P11309 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL5437256 0.88 GRM2 (0.67) GRM2
SCHEMBL5442689 0.84 KDM4E (0.50) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5433914 0.81 GRM2 (0.49) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5437313 0.80 KDM4E (0.54) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5448940 0.79 KDM4E (0.64) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5435558 0.78 KDM4E (0.68) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5444894 0.77 KDM4E (0.40) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5443023 0.76 GRM2 (0.47) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5437231 0.76 GRM2 (0.49) GRM2KDM4EALDH1A1MAPK1PIM1
SCHEMBL5448963 0.75 ALDH1A1 (0.44) GRM2KDM4EALDH1A1MAPK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN 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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 CN disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN 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 GRM2 1/4885KDM4E 1936/4885ALDH1A1 3403/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 GRM2 1/4885KDM4E 1707/4885ALDH1A1 2717/4885

“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.