SCHEMBL3557728

SCHEMBL3557728

CSc1nc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
XDH P47989 1/20 0.46
CTSS P25774 2/20 0.46
IDO1 P14902 1/20 0.44
CTSK P43235 1/20 0.44
SDHB P21912 2/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM1A O60341 1/20 0.43
POLB P06746 2/20 0.42
KMO O15229 1/20 0.42
S1PR4 O95977 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5593071 0.87 LMNA (0.56) LMNAMEN1KMT2AXDHCTSS
SCHEMBL22912193 0.86 SDHB (0.60) LMNAMEN1KMT2ASDHBALDH1A1
SCHEMBL22912197 0.86 MEN1 (0.49) LMNAMEN1KMT2ASDHBALDH1A1
SCHEMBL29976351 0.84 MEN1 (0.51) LMNAMEN1KMT2ASDHBALDH1A1
SCHEMBL3874359 0.84 LMNA (0.54) LMNAMEN1KMT2AXDHCTSS
SCHEMBL19806057 0.84 MEN1 (0.51) LMNAMEN1KMT2ASDHBALDH1A1
SCHEMBL3874666 0.84 LMNA (0.54) LMNAMEN1KMT2AXDHCTSS
SCHEMBL1357676 0.84 LMNA (0.54) LMNAXDHCTSSIDO1CTSK
SCHEMBL20985636 0.81 MEN1 (0.57) LMNAMEN1KMT2ASDHBALDH1A1
SCHEMBL19805940 0.81 MEN1 (0.45) MEN1KMT2AXDHCTSSIDO1

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 8 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
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 LMNA 4514/4885MEN1 2469/4885KMT2A 2308/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 LMNA 4438/4885MEN1 4541/4885KMT2A 1588/4885

“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.