SCHEMBL1960895

SCHEMBL1960895

CS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)nc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.63
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CNR2 P34972 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DAO P14920 1/20 0.33
RIPK1 Q13546 2/20 0.33
ACKR3 P25106 1/20 0.33
CYP2C9 P11712 1/20 0.33
NAMPT P43490 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
SCHEMBL1960893 1.00 GCK (0.63) GCKHRH4HRH3CNR2PDE4A
SCHEMBL1962283 0.81 GCK (0.71) GCKHRH4HRH3CNR2DAO
SCHEMBL1962281 0.81 GCK (0.71) GCKHRH4HRH3CNR2DAO
SCHEMBL1961082 0.79 GCK (0.63) GCKHRH4HRH3CNR2RIPK1
SCHEMBL1960150 0.78 GCK (0.69) GCKHRH4HRH3CNR2DAO
SCHEMBL1960151 0.78 GCK (0.69) GCKHRH4HRH3CNR2DAO
SCHEMBL1964537 0.76 GCK (0.67) GCKHRH4HRH3CNR2RIPK1
SCHEMBL1964538 0.76 GCK (0.67) GCKHRH4HRH3CNR2RIPK1
SCHEMBL1959226 0.75 GCK (0.63) GCKHRH4HRH3CNR2RIPK1
SCHEMBL1959225 0.75 GCK (0.63) GCKHRH4HRH3CNR2RIPK1

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-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN 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 1/4885HRH4 4609/4885HRH3 4610/4885

“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.