SCHEMBL1960904

SCHEMBL1960904

CC(C)(C)NC(=O)c1ccc(C(=CC2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.40
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LATS1 O95835 1/20 0.34
PDE4B Q07343 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 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
SCHEMBL1960900 1.00 GCK (0.40) GCKRIPK1ALDH1A1LMNAMAPT
SCHEMBL1962668 0.89 GCK (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1962666 0.89 GCK (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959233 0.88 ALDH1A1 (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959234 0.88 ALDH1A1 (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1958739 0.88 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTHTT
SCHEMBL1958740 0.88 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTHTT
SCHEMBL1959819 0.87 GCK (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959817 0.87 GCK (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1961953 0.86 GCK (0.38) GCKALDH1A1LMNAMAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US 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 1/4885RIPK1 1635/4885ALDH1A1 769/4885

“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.