SCHEMBL3570322

SCHEMBL3570322

CC(C)(C)NS(=O)(=O)c1cnc(-c2cn(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)cn2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.35
TLR1 Q15399 2/20 0.35
KIF18A Q8NI77 1/20 0.34
KDM1A O60341 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TEAD1 P28347 1/20 0.32
YAP1 P46937 1/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARD Q03181 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
RAD51 Q06609 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL3561597 0.88 LOXL2 (0.36) TLR2TLR1KIF18ALOXL2SMN1; SMN2
SCHEMBL3563881 0.87 P2RY14 (0.37) TLR2TLR1KDM1AALOX5APFEN1
SCHEMBL3564735 0.86 CA12 (0.37) TLR2TLR1LOXL2ALOX5APFEN1
SCHEMBL3556357 0.86 KDM4E (0.37) TLR2TLR1KIF18ALOXL2SMN1; SMN2
SCHEMBL3557431 0.85 TLR2 (0.37) TLR2TLR1KDM1ASMN1; SMN2TEAD1
SCHEMBL3569330 0.80 KIF18A (0.41) TLR2TLR1KIF18AKDM1ASMN1; SMN2
SCHEMBL3560069 0.78 MAPT (0.41) KDM1ASMN1; SMN2LMNAALDH1A1HTT
SCHEMBL3569997 0.76 TLR2 (0.38) TLR2TLR1SMN1; SMN2PPARDALDH1A1
SCHEMBL3565841 0.75 CA12 (0.33) KIF18AKDM1AALOX5APFEN1LMNA
SCHEMBL3562151 0.75 P2RY14 (0.35) TLR2TLR1LOXL2TEAD1YAP1

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 12 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 claimed
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 claimed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
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 TLR2 1649/4885TLR1 2579/4885KIF18A 3355/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 TLR2 322/4885TLR1 471/4885KIF18A 3661/4885

“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.