SCHEMBL2659548

SCHEMBL2659548

CC(C)Cc1ccc2[nH]nc(Nc3nccs3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.51
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
LRRK2 Q5S007 1/20 0.41
MAPK1 P28482 2/20 0.40
GSK3B P49841 2/20 0.37
RIPK2 O43353 1/20 0.36
NTRK1 P04629 5/20 0.36
SCN9A Q15858 1/20 0.36
CDK5 Q00535 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CSF1R P07333 1/20 0.34
LTK P29376 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL2662181 0.87 GRM4 (0.54) GRM4MAPK1GSK3BRIPK2NTRK1
SCHEMBL2660931 0.85 GRM4 (0.52) GRM4LMNAMAPK1GSK3BNTRK1
SCHEMBL2662190 0.84 GRM4 (0.54) GRM4MAPK1NTRK1JAK2ROCK2
SCHEMBL2659835 0.82 GRM4 (0.54) GRM4MAPK1GSK3BRIPK2CDK5
SCHEMBL2668240 0.81 GRM4 (0.48) GRM4MAPK1GSK3BRIPK2CDK5
SCHEMBL2668104 0.80 GRM4 (0.47) GRM4LMNAMAPK1RIPK2SCN9A
SCHEMBL2660492 0.79 GRM4 (0.51) GRM4LRRK2
SCHEMBL2668189 0.79 GRM4 (0.51) GRM4MAPK1GSK3BRIPK2CDK5
SCHEMBL9072627 0.78 GRM4 (0.50) GRM4MAPK1GSK3BRIPK2CDK5
SCHEMBL2668253 0.78 RIPK2 (0.58) GRM4LMNAMAPK1GSK3BRIPK2

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-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP claimed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US claimed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO claimed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM4 1511/4885LMNA 3354/4885XBP1 1133/4885

“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.