SCHEMBL1960100

SCHEMBL1960100

C(=C(c1ccc2c(c1)OCCO2)c1cc2cccnc2[nH]1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.61
CTNNB1 P35222 7/20 0.43
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
WNT3A P56704 5/20 0.41
RIPK1 Q13546 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1960098 1.00 GCK (0.61) GCKCTNNB1RAB9AALDH1A1MEN1
SCHEMBL1960926 0.82 GCK (0.75) GCKRIPK1
SCHEMBL1960928 0.82 GCK (0.75) GCKRIPK1
SCHEMBL1959387 0.80 GCK (0.64) GCKMAPTRIPK1
SCHEMBL1964537 0.80 GCK (0.67) GCKMAPTRIPK1
SCHEMBL1959388 0.80 GCK (0.64) GCKMAPTRIPK1
SCHEMBL1964538 0.80 GCK (0.67) GCKMAPTRIPK1
SCHEMBL1959225 0.80 GCK (0.63) GCKRIPK1
SCHEMBL1959226 0.80 GCK (0.63) GCKRIPK1
SCHEMBL1963915 0.78 GCK (0.62) GCKRIPK1

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 1/4885CTNNB1 4081/4885RAB9A 2871/4885

“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.