SCHEMBL3563422

SCHEMBL3563422

Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)O)c3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
DHODH Q02127 1/20 0.43
KIF11 P52732 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.41
LRRK2 Q5S007 2/20 0.40
NR1H2 P55055 4/20 0.40
SDHB P21912 1/20 0.40
PFKFB3 Q16875 1/20 0.39
PTPN1 P18031 1/20 0.39
HSD11B1 P28845 1/20 0.39
LTB4R Q15722 2/20 0.39
RXRA P19793 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL3562756 0.91 SYK (0.42) SYKDHODHKIF11PTGES2LRRK2
SCHEMBL3558289 0.91 DHODH (0.39) SYKDHODHKIF11PTGES2LRRK2
SCHEMBL3560314 0.90 NR1H2 (0.50) SYKKIF11PTGES2NR1H2SDHB
SCHEMBL3559273 0.89 LRRK2 (0.53) SYKDHODHKIF11PTGES2LRRK2
SCHEMBL3568570 0.84 PFKFB3 (0.47) SYKDHODHKIF11PTGES2LRRK2
SCHEMBL4399152 0.83 KIF11 (0.54) SYKDHODHKIF11PTGES2PFKFB3
SCHEMBL3573683 0.82 LRRK2 (0.46) SYKDHODHKIF11PTGES2LRRK2
SCHEMBL3567684 0.82 LRRK2 (0.51) SYKKIF11PTGES2LRRK2
SCHEMBL3570446 0.82 KIF11 (0.51) DHODHKIF11LTB4R
SCHEMBL3563882 0.81 ALDH1A1 (0.45) KIF11PTGES2LRRK2NR1H2PFKFB3

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-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-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 SYK 3521/4885DHODH 1237/4885KIF11 3845/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 SYK 2546/4885DHODH 2002/4885KIF11 3339/4885

“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.