SCHEMBL190604

SCHEMBL190604

O=C(O)Cc1cc(Nc2nc(CCc3ccccc3)cs2)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
AOC3 Q16853 7/20 0.42
GCK P35557 4/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NOS1 P29475 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL191430 0.88 LMNA (0.46) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL191341 0.86 MEN1 (0.43) GAAMAPTGCKALDH1A1NPC1
SCHEMBL192244 0.84 GCK (0.44) GAAAOC3GCKHDAC1HDAC6
Hydrochloric Acid SCHEMBL191165 0.83 GCK (0.43) GAAAOC3GCKHDAC1HDAC6
SCHEMBL27741187 0.82 AOC3 (0.41) MAPTAOC3GCKHDAC1HDAC6
SCHEMBL191596 0.82 GCK (0.44) AOC3GCKHDAC1HDAC6PDE5A
SCHEMBL191480 0.81 GCK (0.54) AOC3GCKHDAC1HDAC6NOS1
SCHEMBL190789 0.80 GCK (0.42) AOC3GCKMAOBNOS1NPC1
SCHEMBL192556 0.80 AOC3 (0.38) AOC3GCKHDAC1HDAC6PDE5A
SCHEMBL190932 0.80 AOC3 (0.40) GAAMAPTAOC3GCKHDAC1

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 6 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
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO 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 GAA 35/4885MAPT 4375/4885AOC3 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.