SCHEMBL2661306

SCHEMBL2661306

Cn1nccc1-c1ccc2[nH]nc(NC(N)=S)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.45
MAP3K5 Q99683 1/20 0.45
GSK3B P49841 4/20 0.41
GSK3A P49840 3/20 0.41
HAVCR2 Q8TDQ0 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GRM4 Q14833 1/20 0.38
CDK7 P50613 3/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PLK4 O00444 3/20 0.36
MAPK13 O15264 3/20 0.36
DAPK3 O43293 3/20 0.36
CDK1 P06493 3/20 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
SCHEMBL2660239 0.79 AXL (0.54) GSK3BCLK2DYRK1AAXL
SCHEMBL2661218 0.79 JAK2 (0.55) LRRK2MAP3K5GSK3BHAVCR2PIK3CD
SCHEMBL2661291 0.78 CDC7 (0.41) GSK3BGSK3ACDK7PLK4MAPK13
SCHEMBL2668226 0.74 GRM4 (0.48) LRRK2MAP3K5HAVCR2TLR9TLR8
SCHEMBL2668149 0.74 GSK3B (0.47) LRRK2GSK3BGSK3ACDK7PLK4
SCHEMBL2661688 0.74 MAPT (0.51) GSK3BGSK3AGRM4CDK7PLK4
SCHEMBL2662487 0.73 LRRK2 (0.39) LRRK2GSK3BGSK3ATLR9TLR8
SCHEMBL2661883 0.72 GSK3B (0.54) LRRK2GSK3BGSK3AGRM4CDK7
SCHEMBL2660218 0.72 PDPK1 (0.54) GSK3BGSK3ACDK1CDK2CLK2
SCHEMBL2660083 0.72 FADS1 (0.54) GSK3BJAK2NTRK1SMN1; SMN2

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 4 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
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP 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 LRRK2 2277/4885MAP3K5 333/4885GSK3B 2134/4885

“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.