SCHEMBL192067

SCHEMBL192067

N#Cc1cnccc1Sc1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.44
NOS1 P29475 1/20 0.33
AOC3 Q16853 2/20 0.32
SLC22A12 Q96S37 2/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
PRKACA P17612 1/20 0.30
CDK8 P49336 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK9 P50750 1/20 0.30
CDK5 Q00535 1/20 0.30

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
SCHEMBL191869 0.84 GCK (0.44) GCKNOS1AOC3ALDH1A1NPC1
SCHEMBL191831 0.83 GCK (0.41) GCKNOS1AOC3ALDH1A1SMN1; SMN2
SCHEMBL12305709 0.83 GCK (0.38) GCKNOS1AOC3ALDH1A1NPC1
SCHEMBL192827 0.82 GCK (0.42) GCKNOS1AOC3NPC1RAB9A
SCHEMBL191232 0.80 GCK (0.41) GCKNOS1AOC3NPC1RAB9A
SCHEMBL190650 0.78 GCK (0.45) GCKNOS1AOC3NPC1RAB9A
SCHEMBL190783 0.78 GCK (0.40) GCKNOS1AOC3NPC1RAB9A
SCHEMBL190819 0.77 GCK (0.38) GCKNOS1AOC3ALDH1A1NPC1
SCHEMBL192244 0.75 GCK (0.44) GCKNOS1AOC3NPC1RAB9A
SCHEMBL191596 0.75 GCK (0.44) GCKNOS1AOC3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 GCK 2/4885NOS1 1350/4885AOC3 4439/4885

“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.