SCHEMBL4134889

SCHEMBL4134889

O=C(O)c1nccnc1Nc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 14/20 0.40
HCAR2 Q8TDS4 2/20 0.39
DHODH Q02127 1/20 0.39
GRM4 Q14833 1/20 0.38
BCAT2 O15382 1/20 0.38
NAPRT Q6XQN6 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
SCHEMBL4134330 0.83 PRKCI (0.52) KDM4EALDH1A1MAPTHCAR2DHODH
SCHEMBL1761100 0.82 PDE10A (0.40) KDM4EPDE10A
SCHEMBL4134343 0.80 GRM4 (0.44) KDM4EALDH1A1MAPTPDE10AHCAR2
SCHEMBL4134533 0.79 DHODH (0.62) KDM4EALDH1A1MAPTDHODH
SCHEMBL2160345 0.78 PDE10A (0.50) PDE10A
SCHEMBL7455465 0.75 PDE10A (0.57) PDE10A
SCHEMBL7455231 0.74 PDE10A (0.57) PDE10A
SCHEMBL7453696 0.74 PDE10A (0.57) PDE10A
SCHEMBL7453630 0.73 PDE10A (0.64) PDE10A
SCHEMBL7462273 0.73 PDE10A (0.41) PDE10A

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 10 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
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US 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
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US 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 KDM4E 1656/4885ALDH1A1 897/4885MAPT 1433/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 KDM4E 1656/4885ALDH1A1 897/4885MAPT 1433/4885

“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.