SCHEMBL3561476

SCHEMBL3561476

CC(C)(C)NS(=O)(=O)c1ccc(-c2cn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)cn2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SDHB P21912 3/20 0.40
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
ADORA2A P29274 1/20 0.37
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRA1 P14867 1/20 0.35
HTT P42858 1/20 0.35
PTGS2 P35354 2/20 0.34
MITF O75030 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34

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
SCHEMBL3565584 0.92 KDM4E (0.38) MAPTSDHBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3561207 0.92 KDM4E (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3562984 0.91 MAPT (0.35) MAPTSDHBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3569622 0.91 ALDH1A1 (0.39) SDHBKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3561001 0.90 ALOX5AP (0.37) MAPTKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3562478 0.88 GABRA1 (0.36) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL3560069 0.88 MAPT (0.41) MAPTSDHBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3559343 0.87 KDM4E (0.34) MAPTSDHBKDM4EALDH1A1HPGD
SCHEMBL3561285 0.87 MAPT (0.46) MAPTSDHBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3566228 0.86 KDM4E (0.44) MAPTSDHBKDM4ESMN1; SMN2ALDH1A1

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 658/4885SDHB 1862/4885KDM4E 2568/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 MAPT 1080/4885SDHB 2101/4885KDM4E 1276/4885

“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.