SCHEMBL2489206

SCHEMBL2489206

COC(=O)c1cnc(C#Cc2cncnc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.46
KDR P35968 3/20 0.46
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
PDK2 Q15119 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 6/20 0.38
DGAT2 Q96PD7 1/20 0.38
MAPK14 Q16539 1/20 0.37
MAP4K4 O95819 1/20 0.36
PTPN1 P18031 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL2489951 0.89 MAOB (0.46) PDGFRBKDRLMNAABL1MAPK14
SCHEMBL2489356 0.77 PDGFRB (0.46) PDGFRBKDRMYCMAXPDK2
SCHEMBL2490439 0.76 PDGFRB (0.53) PDGFRBKDRMYCMAXLMNA
SCHEMBL2273492 0.71 LMNA (0.53) PDGFRBKDRLMNAMAPK1L3MBTL1
SCHEMBL23796014 0.71 PDGFRB (0.46) PDGFRBKDRMYCMAXLMNA
SCHEMBL640445 0.71 CYP11B1 (0.58) PDGFRBKDRLMNAABL1MAP4K4
SCHEMBL23796013 0.70 PSMD14 (0.56) PDGFRBKDRMYCMAXLMNA
SCHEMBL10058710 0.70 NOTUM (0.51) PDGFRBKDRMYCMAXLMNA
SCHEMBL9876492 0.69 PTPN11 (0.55) LMNA
SCHEMBL2138612 0.68 CFTR (0.55) PDGFRBKDRMYCMAXPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 EP 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
EP-2066636-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-10 EP 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 (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-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 774/4885MYC 4127/4885

“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.