SCHEMBL190441

SCHEMBL190441

CC(=O)N1CCC(c2csc(Nc3cc(Oc4cnccc4C#N)ccn3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
MAP3K12 Q12852 9/20 0.40
GCK P35557 4/20 0.39
DLK1 P80370 1/20 0.39
DRG1 Q9Y295 1/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
IKBKB O14920 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 SCHEMBL191337 0.99 KDR (0.41) KDRMAP3K12GCKDLK1DRG1
SCHEMBL12305714 0.86 IKBKE (0.43) MAP3K12GCKIKBKETBK1MAPK8
SCHEMBL191616 0.82 MAPK8 (0.44) MAP3K12GCKMAPK8MAPK10
Hydrochloric Acid SCHEMBL224825 0.81 MAPK8 (0.44) MAP3K12GCKMAPK8MAPK10
SCHEMBL191735 0.80 MAP3K12 (0.43) MAP3K12GCKDLK1MAPK8MAPK10
Hydrochloric Acid SCHEMBL191534 0.79 MAP3K12 (0.43) MAP3K12GCKDLK1MAPK8MAPK10
SCHEMBL191896 0.77 MAPK8 (0.41) MAP3K12DLK1MAPK8MAPK10
Hydrochloric Acid SCHEMBL190962 0.76 MAPK8 (0.40) MAP3K12DLK1MAPK8MAPK10
SCHEMBL3597657 0.72 GCK (0.64) GCK
SCHEMBL1328464 0.71 GCK (0.62) GCK

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US claimed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO claimed
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-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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 (3 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 KDR 3115/4885MAP3K12 372/4885GCK 2/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 KDR 1971/4885MAP3K12 182/4885GCK 2/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 KDR 77/4885MAP3K12 1237/4885GCK 3643/4885

“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.