SCHEMBL4134533

SCHEMBL4134533

O=C(O)c1nccnc1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.62
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 5/20 0.47
PIM1 P11309 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATR Q13535 1/20 0.47
HCAR3 P49019 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL4134330 0.86 PRKCI (0.52) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL1761140 0.83 DHODH (0.51) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL4129131 0.82 LMNA (0.59) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL30206090 0.81 GRM5 (0.49) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL23388894 0.80 DHODH (0.48) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL29967939 0.80 DHODH (0.48) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL2037022 0.80 DHODH (0.57) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL4134889 0.79 KDM4E (0.41) DHODHALDH1A1MAPTKDM4E
SCHEMBL7049905 0.79 DHODH (0.46) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL479877 0.76 DHODH (1.00) DHODHMEN1KMT2AALDH1A1MAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
CN-101208311-B Pyrazine -2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2013-06-12 CN claimed
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US claimed
CN-101208311-A Pyrazine -2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE (CH) 2008-06-25 CN claimed
EP-1858862-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-28 EP claimed
WO-2006094691-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-07 US claimed
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
CN-101208311-B Pyrazine -2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2013-06-12 CN disclosed
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US disclosed
CN-101208311-A Pyrazine -2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
EP-1858862-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094691-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-4628055-A ASTHMA, BRONCHITIS, 1,5,8-AZANAPHTHYRIDINES SCHERING CORPORATION (US) 1986-12-09 US disclosed
US-4596809-A Substituted 1,8-naphthyridinones, useful as anti-allergic agents SCHERING CORPORATION (US) 1986-06-24 US disclosed
US-4551463-A ANTIULCER SCHERING CORPORATION (US) 1985-11-05 US disclosed
EP-0144996-A2 Substituted spiro pyridine derivatives, pharmaceutical compositions containing them and processes for the preparation of such compounds and compositions SCHERING CORPORATION (US) 1985-06-19 EP disclosed
US-4492702-A ATIALLERGENS, LUNG DISEASES SCHERING CORPORATION (US) 1985-01-08 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed
EP-0092786-A2 1,8-Naphthyridine and 1,5,8-azanaphthyridine derivatives SCHERING CORPORATION (US) 1983-11-02 EP 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-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 DHODH 2500/4885MEN1 1573/4885KMT2A 382/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 DHODH 2500/4885MEN1 1573/4885KMT2A 382/4885

“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.