SCHEMBL192556

SCHEMBL192556

O=C1CC(Cc2cc(Nc3nc(CCc4ccccc4)cs3)ncc2Br)=NN1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.38
MAOB P27338 2/20 0.37
GCK P35557 5/20 0.37
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
NOS1 P29475 1/20 0.33
BACE1 P56817 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
SCHEMBL190604 0.80 GAA (0.43) AOC3MAOBGCKPDE5APDE1A
SCHEMBL190789 0.79 GCK (0.42) AOC3MAOBGCKNOS1
SCHEMBL191334 0.76 GCK (0.41) AOC3MAOBGCKNOS1
SCHEMBL190677 0.76 GCK (0.41) AOC3MAOBGCKNOS1
SCHEMBL191596 0.76 GCK (0.44) AOC3MAOBGCKPDE5APDE1A
SCHEMBL192244 0.76 GCK (0.44) AOC3MAOBGCKPDE5APDE1A
SCHEMBL191480 0.75 GCK (0.54) AOC3GCKHDAC1HDAC6NOS1
Hydrochloric Acid SCHEMBL191165 0.75 GCK (0.43) AOC3MAOBGCKPDE5APDE1A
SCHEMBL191430 0.74 LMNA (0.46)
SCHEMBL27741187 0.73 AOC3 (0.41) AOC3MAOBGCKHDAC1HDAC6

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 7 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-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US 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
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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 AOC3 4439/4885MAOB 2788/4885GCK 2/4885

“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.