SCHEMBL3558289

SCHEMBL3558289

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cncc(S(=O)(=O)O)c3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
KIF11 P52732 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
SYK P43405 1/20 0.38
LRRK2 Q5S007 1/20 0.37
SDHB P21912 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
LTB4R Q15722 2/20 0.36
PTPN1 P18031 1/20 0.36
HSD11B1 P28845 1/20 0.35
ERAP1 Q9NZ08 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
SCHEMBL3563422 0.91 SYK (0.45) DHODHKIF11SYKLRRK2SDHB
SCHEMBL3573683 0.90 LRRK2 (0.46) DHODHKIF11SYKLRRK2PTGES2
SCHEMBL3567684 0.86 LRRK2 (0.51) KIF11SYKLRRK2PTGES2
SCHEMBL3560314 0.83 NR1H2 (0.50) KIF11SYKSDHBPTGES2
SCHEMBL3560614 0.82 PTGES2 (0.44) KIF11SYKLRRK2PTGES2HSD11B1
SCHEMBL3562756 0.82 SYK (0.42) DHODHKIF11SYKLRRK2SDHB
SCHEMBL3559273 0.82 LRRK2 (0.53) DHODHKIF11SYKLRRK2PTGES2
SCHEMBL3561762 0.80 DGAT1 (0.48) KIF11CYP11B1CYP11B2
SCHEMBL3570446 0.80 KIF11 (0.51) DHODHKIF11LTB4R
SCHEMBL3566880 0.79 KIF11 (0.45) DHODHKIF11SYKLRRK2PTGES2

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 16 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
CN-102516161-A Pyridine and pyrimidine derivatives as mglur2 antagonists HOFFMANN LA ROCHE 2012-06-27 CN claimed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US claimed
CN-101415681-A Pyridine and pyrimidine derivatives as mGluR2 antagonists HOFFMANN LA ROCHE (CH) 2009-04-22 CN 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
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 DHODH 1237/4885KIF11 3845/4885CYP11B1 2224/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 DHODH 2002/4885KIF11 3339/4885CYP11B1 2044/4885

“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.