SCHEMBL2402117

SCHEMBL2402117

FC(F)c1cc(-c2ccc(C(F)(F)F)nc2)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.41
KCNH2 Q12809 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PTGES O14684 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
SCHEMBL2401818 0.84 KDM4E (0.49)
SCHEMBL2401104 0.81 S1PR1 (0.40) TRPV3
SCHEMBL2402288 0.80 KCNH2 (0.42) TRPV3KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL3558725 0.80 ADORA3 (0.42)
SCHEMBL2401639 0.76 SYK (0.39)
SCHEMBL3629880 0.75 PTGES (0.39) PTGES
SCHEMBL2401890 0.74 KDM4E (0.35) KCNH2PTGES
SCHEMBL2403548 0.72 SYK (0.44)
SCHEMBL2403597 0.72 MTOR (0.37) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17348356 0.71 KDM4E (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641346-B Pyridine and pyrimidine derivatives as mglur2 antagonists HOFFMANN LA ROCHE 2013-11-06 CN disclosed
US-8415380-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GATTI MCARTHUR SILVIA 2011-10-27 US disclosed
US-8012986-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2011-09-06 US disclosed
EP-2142527-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-29 EP disclosed
CN-101641346-A Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE CH 2010-02-03 CN disclosed
EP-2142527-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMAN-LA ROCHE, INC. 2008-11-13 US disclosed
WO-2008119689-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 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-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 TRPV3 874/4885KCNH2 583/4885PIK3CD 2350/4885
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 TRPV3 874/4885KCNH2 583/4885PIK3CD 2350/4885

“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.