SCHEMBL3569009

SCHEMBL3569009

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2cnc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 2/20 0.39
NPY5R Q15761 2/20 0.38
KIT P10721 1/20 0.38
OXTR P30559 4/20 0.37
SCN9A Q15858 2/20 0.37
KDM1A O60341 1/20 0.37
AVPR1A P37288 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP19A1 P11511 1/20 0.36
KIF18A Q8NI77 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3566660 0.92 KIF18A (0.40) TLR2TLR1LMNASMN1; SMN2HSD11B1
SCHEMBL3560926 0.91 TLR2 (0.43) TLR2TLR1LMNASMN1; SMN2OXTR
SCHEMBL3565529 0.88 ALDH1A1 (0.39) LMNASMN1; SMN2HSD11B1KDM1AHTT
SCHEMBL3562462 0.86 P2RY14 (0.38) TLR2TLR1SMN1; SMN2SCN9A
SCHEMBL3575346 0.86 PTGS2 (0.48) TLR2TLR1PTGS2
SCHEMBL3559086 0.85 JAK2 (0.40) LMNASMN1; SMN2HTT
SCHEMBL3562723 0.83 KIF18A (0.41) TLR2TLR1LMNASMN1; SMN2KIF18A
SCHEMBL3561285 0.82 MAPT (0.46) LMNASMN1; SMN2KDM1APTGS2
SCHEMBL3566411 0.81 KDM4E (0.39) SMN1; SMN2PTGS2
SCHEMBL3565770 0.80 SMN1; SMN2 (0.40) LMNASMN1; SMN2PTGS2

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 TLR2 1649/4885TLR1 2579/4885LMNA 4514/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 TLR2 322/4885TLR1 471/4885LMNA 4438/4885

“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.