SCHEMBL3565682

SCHEMBL3565682

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)N4CCC(O)CC4)c3)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 4/20 0.43
HPGD P15428 2/20 0.42
USP2 O75604 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 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
SCHEMBL4723070 0.94 SYK (0.47) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3572693 0.92 SYK (0.42) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3569839 0.92 NPSR1 (0.50) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3570440 0.92 NPSR1 (0.48) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3567101 0.91 KDM4E (0.45) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3565428 0.90 SMN1; SMN2 (0.43) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3555290 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL3565067 0.89 SYK (0.42) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3559982 0.88 ALDH1A1 (0.41) SYKALDH1A1KDM4EMAPTHTT
SCHEMBL3572591 0.88 MEN1 (0.47) SYKALDH1A1KDM4EMAPTHTT

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 13 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 claimed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
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 claimed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 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-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
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
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 SYK 3521/4885ALDH1A1 1138/4885KDM4E 2568/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 SYK 2546/4885ALDH1A1 3286/4885KDM4E 1276/4885

“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.