SCHEMBL2490439

SCHEMBL2490439

COC(=O)c1cnc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.53
KDR P35968 3/20 0.53
MAPK14 Q16539 1/20 0.47
LMNA P02545 1/20 0.46
ABL1 P00519 5/20 0.46
FFAR4 Q5NUL3 1/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAP4K4 O95819 1/20 0.43
PTPN1 P18031 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL2489164 0.86 MAOB (0.53) PDGFRBKDRABL1FFAR4MRGPRX4
SCHEMBL2703196 0.85 PTGS1 (0.48) PDGFRBKDRMAPK14ABL1MAPK1
SCHEMBL2490941 0.85 SLC6A4 (0.50) PDGFRBKDRMAPK14ABL1MAPK1
SCHEMBL23795977 0.83 LMNA (0.46) PDGFRBKDRMAPK14LMNAMYC
SCHEMBL2273492 0.79 LMNA (0.53) PDGFRBKDRLMNAMAPK1L3MBTL1
SCHEMBL2267893 0.79 LMNA (0.53) LMNAMAPK1L3MBTL1PTPN1MAPT
SCHEMBL23796013 0.78 PSMD14 (0.56) PDGFRBKDRMAPK14LMNAMYC
SCHEMBL10058710 0.78 NOTUM (0.51) PDGFRBKDRMAPK14LMNAMYC
SCHEMBL2490163 0.78 CFTR (0.48) LMNAMRGPRX4MAPK1L3MBTL1MAP4K4
SCHEMBL27335814 0.77 RPS6KB1 (0.49) PDGFRBKDRMAPK14LMNAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 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
US-7781593-B2 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. (US) 2010-08-24 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
CN-101516849-A 5-phenyl-nicotinamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 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
EP-2066636-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-10 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
US-20080070931-A1 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. 2008-03-20 US disclosed
WO-2008031734-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 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 PDGFRB 1979/4885KDR 1838/4885MAPK14 3346/4885
US-20080070931-A1 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse CNR2, CNR1, GPR119 PDGFRB 298/4885KDR 774/4885MAPK14 1691/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR PDGFRB 1979/4885KDR 1838/4885MAPK14 3346/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR PDGFRB 1979/4885KDR 1838/4885MAPK14 3346/4885

“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.