SCHEMBL191735

SCHEMBL191735

CC(=O)N1CCC(c2csc(Nc3cc(Oc4c(C)cccc4C)ccn3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 13/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE10A Q9Y233 1/20 0.39
DLK1 P80370 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GCK P35557 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
Hydrochloric Acid SCHEMBL191534 0.99 MAP3K12 (0.43) MAP3K12MAPK8MAPK10KDM4EMEN1
SCHEMBL191896 0.94 MAPK8 (0.41) MAP3K12MAPK8MAPK10KDM4EMEN1
Hydrochloric Acid SCHEMBL190962 0.94 MAPK8 (0.40) MAP3K12MAPK8MAPK10KDM4EMEN1
SCHEMBL191616 0.85 MAPK8 (0.44) MAP3K12MAPK8MAPK10PDE10AGCK
Hydrochloric Acid SCHEMBL2461428 0.84 MAPK10 (0.41) MAPK10KDM4EMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL224825 0.84 MAPK8 (0.44) MAP3K12MAPK8MAPK10PDE10AGCK
SCHEMBL190441 0.80 KDR (0.41) MAP3K12MAPK8MAPK10DLK1GCK
SCHEMBL12305714 0.80 IKBKE (0.43) MAP3K12MAPK8MAPK10GCK
Hydrochloric Acid SCHEMBL191337 0.79 KDR (0.41) MAP3K12MAPK8MAPK10DLK1GCK
SCHEMBL192511 0.78 MAPK8 (0.44) MAP3K12MAPK8MAPK10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP claimed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US claimed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US claimed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
WO-2008091770-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-07-31 WO 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 (2 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 MAP3K12 372/4885MAPK8 935/4885MAPK10 1316/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 MAP3K12 182/4885MAPK8 2070/4885MAPK10 2189/4885

“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.