SCHEMBL3562984

SCHEMBL3562984

CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)cn2)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
ABL1 P00519 1/20 0.34
SDHB P21912 4/20 0.33
LMNA P02545 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3561476 0.91 MAPT (0.42) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3569622 0.89 ALDH1A1 (0.39) KDM4EALDH1A1POLBKMT2ATDP1
SCHEMBL3561001 0.89 ALOX5AP (0.37) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3561207 0.89 KDM4E (0.43) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3565584 0.89 KDM4E (0.38) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3570196 0.89 ABL1 (0.35) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3559343 0.87 KDM4E (0.34) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3565363 0.87 CA12 (0.44) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3565770 0.87 SMN1; SMN2 (0.40) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3565406 0.84 HPGD (0.39) MAPTKDM4EALDH1A1POLBKMT2A

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 7 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 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 MAPT 658/4885KDM4E 2568/4885ALDH1A1 1138/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 MAPT 1080/4885KDM4E 1276/4885ALDH1A1 3286/4885

“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.