SCHEMBL1962902

SCHEMBL1962902

COc1cnc2[nH]c(/C(=C/C3CCCCC3)c3ccc(S(C)(=O)=O)cc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.58
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGS2 P35354 7/20 0.34
PTGS1 P23219 1/20 0.33
JAK3 P52333 1/20 0.33
ATR Q13535 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
SCHEMBL1962903 1.00 GCK (0.58) GCKKMT2APDE4APDE4BPDE4C
SCHEMBL1961702 0.99 GCK (0.59) GCKKMT2APDE4APDE4BPDE4C
SCHEMBL1961701 0.99 GCK (0.59) GCKKMT2APDE4APDE4BPDE4C
SCHEMBL1959902 0.91 GCK (0.51) GCKPDE4APDE4BPDE4CPDE4D
SCHEMBL1959058 0.90 GCK (0.56) GCKKMT2APDE4APDE4BPDE4C
SCHEMBL1959057 0.90 GCK (0.56) GCKKMT2APDE4APDE4BPDE4C
SCHEMBL1959072 0.89 GCK (0.55) GCKPTGS2
SCHEMBL1960935 0.89 GCK (0.55) GCKKMT2APTGS2PTGS1JAK3
SCHEMBL1959070 0.89 GCK (0.55) GCKPTGS2
SCHEMBL1960933 0.89 GCK (0.55) GCKKMT2APTGS2PTGS1JAK3

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 1/4885KMT2A 1524/4885PDE4A 625/4885

“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.