SCHEMBL2668089

SCHEMBL2668089

c1csc(Nc2n[nH]c3ccc(-c4ccsc4)cc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.52
GSK3B P49841 2/20 0.44
CDK2 P24941 2/20 0.44
GSK3A P49840 1/20 0.44
CYP1A2 P05177 1/20 0.43
LRRK2 Q5S007 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
WNT1 P04628 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CHEK1 O14757 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
SCHEMBL2668091 0.86 GRM4 (0.55) GRM4LRRK2MAPK1JAK2JAK1
SCHEMBL9072655 0.81 GRM4 (0.55) GRM4GSK3BCDK2GSK3ALRRK2
SCHEMBL2668092 0.80 GRM4 (0.57) GRM4GSK3BGSK3ALRRK2MAPK1
SCHEMBL2668299 0.79 AXL (0.53) GRM4GSK3BLRRK2DYRK1A
SCHEMBL2660111 0.79 GRM4 (0.58) GRM4MAPK1MAPKAPK2JAK2JAK1
SCHEMBL2660645 0.79 GRM4 (0.58) GRM4MAPK1
SCHEMBL2667982 0.79 GRM4 (0.58) GRM4GSK3BMAPK1
SCHEMBL2660635 0.79 GRM4 (0.58) GRM4CDK2MAPK1JAK2CLK2
SCHEMBL9072636 0.78 JAK2 (0.54) GRM4GSK3BCYP1A2MAPK1HDAC1
SCHEMBL16495345 0.77 GRM4 (0.57) GRM4GSK3BCDK2MAPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK GRM4 2714/4885GSK3B 2134/4885CDK2 319/4885

“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.