SCHEMBL3559943

SCHEMBL3559943

Cc1cc(-c2ccc(Cl)c(C)c2)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMO O15229 3/20 0.44
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
XIAP P98170 1/20 0.39
GRM2 Q14416 3/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
GRIN2B Q13224 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
NPBWR1 P48145 1/20 0.35

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
SCHEMBL3556326 0.87 KMO (0.57) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL1256026 0.79 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL10827271 0.79 MEN1 (0.70) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3561469 0.79 GRM2 (0.41) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3566799 0.79 KDM4E (0.47) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL19894088 0.78 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL632215 0.76 MEN1 (0.73) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL1258335 0.75 MEN1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL12408679 0.75 MEN1 (0.70) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL3560461 0.75 RAB9A (0.44) MEN1KMT2AALDH1A1HPGDKDM4E

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
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
CN-102516161-A Pyridine and pyrimidine derivatives as mglur2 antagonists HOFFMANN LA ROCHE 2012-06-27 CN disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US disclosed
CN-101415681-A Pyridine and pyrimidine derivatives as mGluR2 antagonists HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 MEN1 2469/4885KMT2A 2308/4885L3MBTL1 3297/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 MEN1 4541/4885KMT2A 1588/4885L3MBTL1 3952/4885

“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.