SCHEMBL4134330

SCHEMBL4134330

O=C(O)c1nccnc1Nc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
DHODH Q02127 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
NAMPT P43490 3/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 3/20 0.44
NOTUM Q6P988 1/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE5A O76074 1/20 0.43

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
SCHEMBL4134533 0.86 DHODH (0.62) DHODHNPC1RAB9AALDH1A1KDM4E
SCHEMBL1761088 0.85 ALDH1A1 (0.50) PRKCINPC1RAB9APKMNAMPT
SCHEMBL4134889 0.83 KDM4E (0.41) DHODHALDH1A1KDM4EHCAR2MAPT
SCHEMBL4129926 0.83 GRM5 (0.48) DHODHNPC1RAB9APKMNAMPT
SCHEMBL10644254 0.83 DHODH (0.77) DHODHNPC1RAB9APKMALDH1A1
SCHEMBL13472335 0.80 MAP4K4 (0.44) PRKCIDHODHNPC1RAB9APKM
SCHEMBL28774263 0.79 NAPRT (0.47) PRKCIDHODHNPC1RAB9APKM
SCHEMBL5201766 0.79 PRKCI (0.57) PRKCIALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL7451249 0.79 PDE10A (0.60)
SCHEMBL1386612 0.78 GRM4 (0.59) PRKCINPC1RAB9ANOTUMMAPT

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 14 patents. 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-20060199828-A1 Pyrazine-2-carboxyamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-07 US 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 PRKCI 3825/4885DHODH 2500/4885NPC1 2019/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 PRKCI 3825/4885DHODH 2500/4885NPC1 2019/4885

“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.