SCHEMBL3562839

SCHEMBL3562839

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4ccncc4)n3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPK1 P28482 4/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 5/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KIF11 P52732 1/20 0.41
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL3565949 0.88 KDM4E (0.46) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3555771 0.81 KIF11 (0.58) KDM4EHSD17B10MAPK1ALDH1A1TP53
SCHEMBL17694989 0.75 KIF11 (0.68) KDM4EALDH1A1KMT2AMEN1KIF11
SCHEMBL3563891 0.74 KDM4E (0.74) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3564543 0.73 NPBWR1 (0.38) ALDH1A1SMN1; SMN2HPGDGLAMAPT
SCHEMBL3569360 0.71 KDM4E (0.52) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3561753 0.71 KDM4E (0.50) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3562550 0.70 KDM4E (0.75) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3559073 0.70 KDM4E (0.46) KDM4EHSD17B10MAPK1TSHRALDH1A1
SCHEMBL3565787 0.70 KDM4E (0.46) KDM4EHSD17B10MAPK1TSHRALDH1A1

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 15 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
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 KDM4E 2568/4885HSD17B10 3931/4885MAPK1 2283/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 KDM4E 1276/4885HSD17B10 3932/4885MAPK1 1426/4885

“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.