SCHEMBL191875

SCHEMBL191875

c1cnc2sc(Nc3cc(Oc4cccc5ncccc45)ccn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41
PDE10A Q9Y233 2/20 0.40
TGFBR1 P36897 3/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.36
ITK Q08881 1/20 0.36
AURKB Q96GD4 1/20 0.36
CACNA2D1 P54289 6/20 0.36

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
SCHEMBL12305708 0.81 GCK (0.47) NPC1RAB9ASMN1; SMN2POLBPDE10A
SCHEMBL192859 0.81 GCK (0.53) TGFBR1CACNA2D1
Hydrochloric Acid SCHEMBL191778 0.80 GCK (0.47) NPC1RAB9ASMN1; SMN2POLBPDE10A
SCHEMBL191277 0.73 NOS3 (0.44) BRAFKDRMEN1MAPTKMT2A
SCHEMBL2642290 0.69 GCK (0.65) NPC1RAB9ASMN1; SMN2KDR
SCHEMBL190775 0.68 GCK (0.53) ALDH1A1GAAMAPT
SCHEMBL190934 0.68 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL2676903 0.68 NPC1 (0.60) NPC1RAB9ASMN1; SMN2POLBPDE10A
SCHEMBL12305707 0.68 GCK (0.47) NPC1RAB9ASMN1; SMN2TGFBR1KDR
SCHEMBL14274873 0.68 NPC1 (0.69) NPC1RAB9ASMN1; SMN2POLBPDE10A

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 8 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
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 NPC1 1862/4885RAB9A 1808/4885SMN1; SMN2 2600/4885

“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.