SCHEMBL3569559

SCHEMBL3569559

CCC(=O)NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 8/20 0.39
ADORA3 P0DMS8 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38
PTGS2 P35354 2/20 0.36
CAPN1 P07384 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3559279 0.85 GSK3B (0.38) P2RY14ADORA3PTGS2
SCHEMBL3570441 0.83 SDHB (0.43) ADORA3ALKBH2ALKBH5ALKBH3FTO
SCHEMBL3564717 0.81 CA12 (0.46) P2RY14PTGS2
SCHEMBL3563428 0.78 KDM4E (0.45) PTGS2
SCHEMBL3559682 0.77 KDM4E (0.40)
SCHEMBL2401632 0.76 RXFP1 (0.36) PTGS2
SCHEMBL3559105 0.75 ADORA3 (0.37) P2RY14ADORA3HDAC1
SCHEMBL2403482 0.75 SDHB (0.43)
SCHEMBL3566655 0.74 ALOX5AP (0.38)
SCHEMBL3556798 0.74 CA12 (0.44) P2RY14ADORA3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US claimed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP 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
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 P2RY14 36/4885ADORA3 21/4885ALKBH2 3237/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 P2RY14 77/4885ADORA3 66/4885ALKBH2 4027/4885

“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.