SCHEMBL1961997

SCHEMBL1961997

CC(C)(C)NC(=O)c1ccc(/C(=C/C2CCCC2)c2cc3cc(F)cnc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.49
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 5/20 0.36
JAK2 O60674 4/20 0.36
ULK1 O75385 1/20 0.35
SYK P43405 1/20 0.35
MLLT1 Q03111 1/20 0.34
PDE7A Q13946 1/20 0.34
AOC3 Q16853 2/20 0.33
MAOB P27338 1/20 0.33
MTOR P42345 1/20 0.33
PTGER4 P35408 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
SCHEMBL1961999 1.00 GCK (0.49) GCKRIPK1ALDH1A1NTRK1JAK2
SCHEMBL1960133 0.87 GCK (0.47) GCKNTRK1JAK2ULK1MTOR
SCHEMBL1960134 0.87 GCK (0.47) GCKNTRK1JAK2ULK1MTOR
SCHEMBL1958737 0.83 GCK (0.54) GCK
SCHEMBL1958735 0.83 GCK (0.54) GCK
SCHEMBL1958734 0.83 GCK (0.54) GCK
SCHEMBL1960533 0.81 GCK (0.52) GCK
SCHEMBL1960534 0.81 GCK (0.52) GCK
SCHEMBL1960532 0.81 GCK (0.52) GCK
SCHEMBL1961938 0.80 GCK (0.51) GCK

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.