SCHEMBL1761087

SCHEMBL1761087

COC(=O)c1nccnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ATR Q13535 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PDPK1 O15530 1/20 0.33
MAPK1 P28482 1/20 0.32
MKNK2 Q9HBH9 1/20 0.31
METAP1 P53582 1/20 0.31
SSTR4 P31391 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL7453323 0.80 ALDH1A1 (0.36) L3MBTL1ATRNPSR1ALDH1A1KDM4E
SCHEMBL617804 0.79 NPSR1 (0.35) L3MBTL1ATRNPSR1ALDH1A1KDM4E
SCHEMBL21855448 0.78 L3MBTL1 (0.48) L3MBTL1ATRALDH1A1KDM4ELMNA
SCHEMBL14221249 0.78 PDPK1 (0.33) ALDH1A1PDPK1MKNK2SSTR4SYK
SCHEMBL30781550 0.77 ATR (0.40) L3MBTL1ATRNPSR1ALDH1A1KDM4E
SCHEMBL25223691 0.77 NPSR1 (0.33) ATRNPSR1ALDH1A1LMNAPDPK1
SCHEMBL7455268 0.77 PDPK1 (0.36) ATRNPSR1ALDH1A1LMNAPDPK1
SCHEMBL10325314 0.77 NPSR1 (0.33) ATRNPSR1ALDH1A1LMNAPDPK1
SCHEMBL22582911 0.76 ATR (0.40) ATRALDH1A1LMNAPDPK1SSTR4
SCHEMBL30883874 0.76 ATR (0.39) L3MBTL1ATRNPSR1ALDH1A1KDM4E

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 4 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 disclosed
US-7947685-B2 Pyrazine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US 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 L3MBTL1 1350/4885ATR 3759/4885NPSR1 150/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 L3MBTL1 1350/4885ATR 3759/4885NPSR1 150/4885

“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.