SCHEMBL2701913

SCHEMBL2701913

O=C(O)c1cnc(NC2CC2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.52
CHEK1 O14757 3/20 0.45
MAPKAPK2 P49137 3/20 0.45
JAK2 O60674 1/20 0.45
LCK P06239 1/20 0.45
IGF1R P08069 1/20 0.45
CSNK1D P48730 1/20 0.45
TSSK2 Q96PF2 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SYK P43405 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
CNR2 P34972 1/20 0.40
HCAR3 P49019 1/20 0.40
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL2703219 0.81 CNR1 (0.46) CNR1EGLN1CNR2
SCHEMBL4011940 0.78 CNR1 (0.50) CNR1CHEK1MAPKAPK2JAK2LCK
SCHEMBL2704945 0.77 CNR1 (0.67) CNR1KMO
SCHEMBL2704068 0.77 CNR1 (0.61) CNR1CHEK1JAK2SYKCNR2
SCHEMBL2113992 0.74 CNR1 (0.51) CNR1EGLN1KMO
SCHEMBL2704360 0.73 CNR1 (0.50) CNR1CHEK1EGLN1
SCHEMBL2703218 0.72 CNR1 (0.45) CNR1CNR2DGAT1KMO
SCHEMBL2702610 0.72 CNR1 (0.45) CNR1EGLN1CNR2DGAT1KMO
SCHEMBL2116976 0.72 CNR1 (0.66) CNR1CNR2KMO
SCHEMBL5452416 0.71 CNR1 (0.61) CNR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188093-B2 Pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
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
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents ANDJELKOVIC MIRJANA 2010-10-21 US claimed
CN-101522626-A 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE (CH) 2009-09-02 CN 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
EP-2074096-B1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
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
CN-101522626-A 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE (CH) 2009-09-02 CN 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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 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 (3 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 69/4885CHEK1 4380/4885MAPKAPK2 4324/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR CNR1 69/4885CHEK1 4380/4885MAPKAPK2 4324/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR CNR1 69/4885CHEK1 4380/4885MAPKAPK2 4324/4885

“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.