SCHEMBL5883522

SCHEMBL5883522

Cc1cnc(C(N)=O)c[n+]1[O-]

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.71
SIRT6 Q8N6T7 2/20 0.41
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
KMT2A Q03164 1/20 0.36
LCK P06239 1/20 0.33
NNMT P40261 4/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
Acipimox SCHEMBL29370131 0.83 HCAR2 (1.00) HCAR2TSHRKMT2ATDP1LMNA
SCHEMBL12442577 0.83 HCAR2 (0.73) HCAR2
Acipimox SCHEMBL48922 0.83 HCAR2 (1.00) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL6057382 0.83 HCAR2 (1.00) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL28273592 0.81 HCAR2 (0.96) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL31290731 0.81 HCAR2 (0.96) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL28986974 0.81 HCAR2 (0.96) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL28681646 0.81 HCAR2 (0.96) HCAR2TSHRKMT2ATDP1LMNA
Acipimox SCHEMBL28690337 0.81 HCAR2 (0.96) HCAR2TSHRKMT2ATDP1LMNA
SCHEMBL9422317 0.81 HCAR2 (0.65) HCAR2ADORA3

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
US-4051245-A HYPOGLYCEMIC AND HYPOLIPAEMIC ACTIVITY CARLO ERBA, S.P.A. (IT) 1977-09-27 US claimed
JP-6256320-A None JP disclosed
US-7153965-B2 Pharmaceutically acceptable inorganic and organic salts of 5-methylpyrazine-2-carboxylic acid-4-oxide ISP INVESTMENTS INC. (US) 2006-12-26 US disclosed
US-20050261312-A1 Pharmaceutically acceptable inorganic and organic salts of 5-methylpyrazine-2-carboxylic acid-4-oxide ISP INVESTMENTS INC. 2005-11-24 US disclosed
JP-H06256320-A PYRAZINE 4-OXIDE DERIVATIVE EFFECTIVE FOR MYCOBACTERIUM TUBERCULOSIS KOEI CHEM CO LTD 1994-09-13 JP disclosed
EP-0088395-B1 A PROCESS FOR THE PREPARATION OF PYRAZINE DERIVATIVES FARMITALIA CARLO ERBA S.p.A. (IT) 1986-07-16 EP disclosed
US-4511718-A Preparation of pyrazine derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1985-04-16 US disclosed
EP-0088395-A1 A process for the preparation of pyrazine derivatives FARMITALIA CARLO ERBA S.p.A. (IT) 1983-09-14 EP disclosed
US-4051245-A HYPOGLYCEMIC AND HYPOLIPAEMIC ACTIVITY CARLO ERBA, S.P.A. (IT) 1977-09-27 US disclosed
US-4002750-A HYPOGLYCEMIC AND HYPOLIPEMIC AGENTS CARLO ERBA S.P.A. (IT) 1977-01-11 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 (1 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-20050261312-A1 Pharmaceutically acceptable inorganic and organic salts of 5-methylpyrazine-2-carboxylic acid-4-oxide KDM5A, JMJD6, GRIK5 HCAR2 372/4885SIRT6 729/4885ADORA3 1175/4885

“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.