SCHEMBL1959902

SCHEMBL1959902

COc1cnc2[nH]c(C(=CC3CCOCC3)c3ccc(S(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.51
HPGDS O60760 1/20 0.35
TBK1 Q9UHD2 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NAMPT P43490 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1961702 0.92 GCK (0.59) GCKPDE4APDE4BPDE4CPDE4D
SCHEMBL1961701 0.92 GCK (0.59) GCKPDE4APDE4BPDE4CPDE4D
SCHEMBL1962902 0.91 GCK (0.58) GCKPDE4APDE4BPDE4CPDE4D
SCHEMBL1962903 0.91 GCK (0.58) GCKPDE4APDE4BPDE4CPDE4D
SCHEMBL1960841 0.87 GCK (0.46) GCKNAMPTPTGS1PTGS2MAPK1
SCHEMBL1960844 0.87 GCK (0.46) GCKNAMPTPTGS1PTGS2MAPK1
SCHEMBL1960843 0.87 GCK (0.46) GCKNAMPTPTGS1PTGS2MAPK1
SCHEMBL1958996 0.86 GCK (0.46) GCKKDM4EALDH1A1
SCHEMBL1958998 0.86 GCK (0.46) GCKKDM4EALDH1A1
SCHEMBL1958999 0.86 GCK (0.46) GCKKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GCK 1/4885HPGDS 2253/4885TBK1 3012/4885

“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.