SCHEMBL3565818

SCHEMBL3565818

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2cnc(-c3cnc(N)nc3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.39
FEN1 P39748 8/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
NR2E1 Q9Y466 1/20 0.37
LCK P06239 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
SCN9A Q15858 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
RAD51 Q06609 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL3566786 0.90 TLR2 (0.41) TLR2TLR1NR2E1KITSCN9A
SCHEMBL3560994 0.86 ALOX5AP (0.38) ALOX5APFEN1TLR2TLR1HRH4
SCHEMBL3573016 0.86 HSP90AA1 (0.35) ALOX5APFEN1HSP90AA1
SCHEMBL3559468 0.85 MAP4K4 (0.42) HRH4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3575346 0.83 PTGS2 (0.48) TLR2TLR1
SCHEMBL3559037 0.83 CYP2A6 (0.44) TLR2TLR1LCKKITSRC
SCHEMBL3568974 0.81 RAD51 (0.39) TLR2TLR1NR2E1SCN9ARAD51
SCHEMBL3561272 0.81 RAD51 (0.41) TLR2TLR1NR2E1SCN9ARAD51
SCHEMBL3563668 0.81 KMO (0.41) HRH4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3559978 0.81 PIK3CA (0.47) ALOX5APFEN1TLR2TLR1

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-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 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 ALOX5AP 2556/4885FEN1 4689/4885TLR2 1649/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 ALOX5AP 1683/4885FEN1 4746/4885TLR2 322/4885

“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.