SCHEMBL191896

SCHEMBL191896

CC(=O)N1CCC(c2csc(Nc3cc(Oc4c(C)cccc4Cl)ccn3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAP3K12 Q12852 11/20 0.41
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 1/20 0.37
DLK1 P80370 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 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
Hydrochloric Acid SCHEMBL190962 0.99 MAPK8 (0.40) MAPK8MAPK10MAP3K12PDE10AKDM4E
SCHEMBL191735 0.94 MAP3K12 (0.43) MAPK8MAPK10MAP3K12PDE10AKDM4E
Hydrochloric Acid SCHEMBL191534 0.94 MAP3K12 (0.43) MAPK8MAPK10MAP3K12PDE10AKDM4E
SCHEMBL191616 0.88 MAPK8 (0.44) MAPK8MAPK10MAP3K12PDE10AMAPK14
Hydrochloric Acid SCHEMBL224825 0.87 MAPK8 (0.44) MAPK8MAPK10MAP3K12PDE10ATRPC3
SCHEMBL192511 0.81 MAPK8 (0.44) MAPK8MAPK10MAP3K12KDM4EMEN1
Hydrochloric Acid SCHEMBL190935 0.80 MAPK8 (0.43) MAPK8MAPK10MAP3K12KDM4EMEN1
SCHEMBL13405464 0.79 MAPK8 (0.46) MAPK8MAPK10MAP3K12PDE10AALDH1A1
Hydrochloric Acid SCHEMBL2461428 0.79 MAPK10 (0.41) MAPK10KDM4EMEN1NPC1ALDH1A1
SCHEMBL12333605 0.78 MAPK8 (0.41) MAPK8MAPK10MAP3K12MAPK14

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 9 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

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 MAPK8 935/4885MAPK10 1316/4885MAP3K12 372/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 MAPK8 2070/4885MAPK10 2189/4885MAP3K12 182/4885

“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.