SCHEMBL2482825

SCHEMBL2482825

O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 1.00
LMNA P02545 1/20 0.79

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
SCHEMBL14132974 0.92 GRM5 (0.85) GRM5LMNA
SCHEMBL14132564 0.91 GRM5 (0.91) GRM5LMNA
SCHEMBL5924170 0.91 GRM5 (1.00) GRM5LMNA
SCHEMBL5924104 0.89 GRM5 (1.00) GRM5LMNA
SCHEMBL3677412 0.88 GRM5 (0.80) GRM5LMNA
SCHEMBL14132972 0.87 GRM5 (0.77) GRM5LMNA
SCHEMBL1821818 0.87 GRM5 (0.76) GRM5LMNA
SCHEMBL5924064 0.86 GRM5 (1.00) GRM5LMNA
SCHEMBL1823352 0.86 GRM5 (1.00) GRM5
SCHEMBL29681972 0.86 GRM5 (1.00) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416123-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2016-08-16 US disclosed
US-20150141462-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2014-11-13 US disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
WO-2013188465-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING DRUG ADDICTION AND PREVENTING A DRUG RELAPSE ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2013-12-19 WO disclosed
WO-2013046041-A1 PYRIDINYLPYRAZOLES FOR USE AS KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-04-04 WO disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-7531541-B2 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY (US) 2009-05-12 US disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders VANDERBILT UNIVERSITY 2007-09-06 US disclosed
WO-2007035823-A2 PARTIAL MGLUR5 ANTAGONISTS AND METHODS OF USE THEREOF MOLECULAR NEUROIMAGING, LLC (US) 2007-03-29 WO disclosed
US-20060281803-A1 Pyrazole modulators of metabotropic glutamate receptors MERCK & CO., INC. 2006-12-14 US disclosed
WO-2005030128-A2 PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2005-04-07 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 (5 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 GRM5 1/4885LMNA 4804/4885
US-20140336225-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER DCK, MAP3K2, MAP3K19 GRM5 1047/4885LMNA 4606/4885
US-20060281803-A1 Pyrazole modulators of metabotropic glutamate receptors GRM5, GRM3, GRIK5 GRM5 1/4885LMNA 4843/4885
US-20070208028-A1 Partial mGluR5 antagonists for treatment of anxiety and CNS disorders GRM5, GRIK5, GRM1 GRM5 1/4885LMNA 4484/4885
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS GRM5 2702/4885LMNA 3225/4885

“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.