SCHEMBL2704945

SCHEMBL2704945

O=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 15/20 0.67
▸ CDH1 P12830 1/20 0.50
▸ APC P25054 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ TCF7L2 Q9NQB0 1/20 0.50
▸ KMO O15229 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44

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
SCHEMBL5452416 0.92 CNR1 (0.61) CNR1
SCHEMBL5773432 0.86 CNR1 (0.62) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4453192 0.85 CNR1 (0.64) CNR1
SCHEMBL4463174 0.85 CNR1 (0.64) CNR1
SCHEMBL2113992 0.85 CNR1 (0.51) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4252468 0.85 CNR1 (0.61) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL30712642 0.84 CNR1 (0.66) CNR1KDM4ELMNAGAAL3MBTL1
SCHEMBL4456253 0.84 CNR1 (0.66) CNR1KDM4ELMNAGAAL3MBTL1
SCHEMBL2703846 0.83 CNR1 (0.49) CNR1CDH1APCCTNNB1TCF7L2
SCHEMBL4456962 0.83 CNR1 (0.57) CNR1KDM4E

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 — — EP claimed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 — — EP claimed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — US claimed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 — — WO claimed
US-8188093-B2 Pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 — — EP disclosed
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents ANDJELKOVIC MIRJANA 2010-10-21 — — US disclosed
US-7812028-B2 3-pyridinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2010-10-12 — — US disclosed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 — — EP disclosed
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS ANDJELKOVIC MIRJANA 2009-06-04 — — US disclosed
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 — — US disclosed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 — — EP disclosed
EP-1641779-A1 2-SUBSTITUED 5, 6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATOR. AstraZeneca AB (SE) 2006-04-05 — — EP disclosed
EP-1592451-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND AstraZeneca AB (SE) 2005-11-09 — — EP disclosed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 — — US disclosed
WO-2004111033-A1 2-SUBSTITUED 5, 6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATOR. ASTRAZENECA AB (SE) 2004-12-23 — — WO disclosed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 — — EP disclosed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 — — WO disclosed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 — — WO disclosed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 — — WO 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 (4 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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR CNR1 69/4885CDH1 4861/4885APC 3540/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR CNR1 69/4885CDH1 4861/4885APC 3540/4885
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists CNR1, CNR2, GPR18 CNR1 1/4885CDH1 4149/4885APC 3738/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR CNR1 69/4885CDH1 4861/4885APC 3540/4885

“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.

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