SCHEMBL4129926

SCHEMBL4129926

Cc1cnc(Nc2cccnc2)c(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PDE10A Q9Y233 3/20 0.44
PKM P14618 1/20 0.43
NAMPT P43490 5/20 0.43
CYP1A2 P05177 1/20 0.43
PIK3CA P42336 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL9348292 0.87 PIM1 (0.49) GRM5NPC1RAB9APDE10ADHODH
SCHEMBL1761109 0.84 MAPT (0.47) GRM5NPC1RAB9APKMCYP1A2
SCHEMBL2160345 0.83 PDE10A (0.50) PDE10A
SCHEMBL4134330 0.83 PRKCI (0.52) NPC1RAB9APKMNAMPTL3MBTL1
SCHEMBL7451249 0.82 PDE10A (0.60) PDE10A
SCHEMBL12595506 0.80 NPC1 (0.54) GRM5NPC1RAB9APDE10ANAMPT
SCHEMBL4908197 0.80 GRM5 (0.68) GRM5NPC1RAB9APDE10APKM
Hydrochloric Acid SCHEMBL1386045 0.79 NPC1 (0.53) GRM5NPC1RAB9APDE10ANAMPT
Hydrochloric Acid SCHEMBL1761107 0.78 GRM5 (0.66) GRM5PDE10A
SCHEMBL12595512 0.78 PDE10A (0.52) GRM5NPC1RAB9APDE10ANAMPT

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 GRM5 99/4885NPC1 2019/4885RAB9A 2540/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 GRM5 99/4885NPC1 2019/4885RAB9A 2540/4885

“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.