SCHEMBL3569783

SCHEMBL3569783

FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2cccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 7/20 0.54
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.50
ADORA2A P29274 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 4/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3569360 0.87 KDM4E (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3566325 0.84 KDM4E (0.72) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3572471 0.79 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3564984 0.79 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3561753 0.78 KDM4E (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3557132 0.77 KDM4E (0.71) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL14366831 0.77 KDM4E (0.75) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3570847 0.76 KDM4E (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3564541 0.75 PTGS2 (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL3560480 0.75 KDM4E (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT

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 11 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
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 KDM4E 2568/4885ALDH1A1 1138/4885HSD17B10 3931/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 KDM4E 1276/4885ALDH1A1 3286/4885HSD17B10 3932/4885

“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.