SCHEMBL3565949

SCHEMBL3565949

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4cccnc4)n3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 9/20 0.43
HPGD P15428 5/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.41
NPY5R Q15761 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 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
SCHEMBL3562839 0.88 KDM4E (0.50) KDM4EHSD17B10MAPK1TSHRSMN1; SMN2
SCHEMBL3567928 0.83 S1PR1 (0.56) KDM4EHSD17B10MAPK1SMN1; SMN2S1PR1
SCHEMBL3567305 0.81 HSP90AA1 (0.48) KDM4EHSD17B10MAPK1TSHRSMN1; SMN2
SCHEMBL3572426 0.76 S1PR1 (0.51) KDM4ESMN1; SMN2S1PR1ALDH1A1NPY5R
SCHEMBL3563590 0.76 S1PR1 (0.48) KDM4ESMN1; SMN2S1PR1ALDH1A1NPY5R
SCHEMBL25459772 0.74 S1PR1 (0.53) KDM4ESMN1; SMN2S1PR1ALDH1A1MAPT
SCHEMBL30085885 0.74 S1PR1 (0.53) KDM4ESMN1; SMN2S1PR1ALDH1A1MAPT
SCHEMBL2731536 0.73 CYP17A1 (0.42) KDM4EHSD17B10MAPK1SMN1; SMN2S1PR1
SCHEMBL3564543 0.73 NPBWR1 (0.38) SMN1; SMN2ALDH1A1HPGDGLAMAPT
SCHEMBL893929 0.72 S1PR1 (0.51) KDM4ESMN1; SMN2S1PR1ALDH1A1NPY5R

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.