SCHEMBL3560729

SCHEMBL3560729

O=c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TDP2 O95551 1/20 0.46
KIF11 P52732 9/20 0.45
RAB9A P51151 1/20 0.44
GLO1 Q04760 1/20 0.42
MAOB P27338 1/20 0.41
COMT P21964 1/20 0.41
NOTUM Q6P988 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL3558851 0.84 FABP4 (0.43) KDM4ETDP2RAB9ANOTUM
SCHEMBL3556726 0.82 MAPT (0.47) TDP2KIF11RAB9AGLO1PSEN1
SCHEMBL3569261 0.78 RAB9A (0.46) TDP2KIF11RAB9APSEN1PSEN2
SCHEMBL8987203 0.78 KIF11 (0.56) KDM4EKIF11GLO1NOTUM
SCHEMBL8987300 0.78 KIF11 (0.56) KDM4EKIF11GLO1NOTUM
SCHEMBL25065886 0.78 KDM4E (0.46) KDM4ENOTUM
SCHEMBL1348693 0.77 YTHDF3 (0.45) KDM4ETDP2KIF11RAB9A
SCHEMBL12937177 0.75 KIF11 (0.67) KIF11MAOBPSEN1PSEN2APH1B
SCHEMBL2087491 0.74 PARP1 (0.50) KIF11RAB9ACOMTNOTUM
SCHEMBL133043 0.74 NOTUM (0.58) TDP2KIF11NOTUM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
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 2568/4885TDP2 926/4885KIF11 3845/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 KDM4E 1276/4885TDP2 1250/4885KIF11 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.