SCHEMBL2668092

SCHEMBL2668092

c1ccc(-c2ccc3[nH]nc(Nc4nccs4)c3c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.57
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
CDC7 O00311 3/20 0.40
LRRK2 Q5S007 1/20 0.40
MAPK1 P28482 1/20 0.40
PRMT5 O14744 2/20 0.39
MAPK8 P45983 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PIM1 P11309 2/20 0.38
CDK7 P50613 1/20 0.38
SCN9A Q15858 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 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 0.83 GRM4 (0.55) GRM4JAK2JAK1TYK2JAK3
SCHEMBL9072655 0.82 GRM4 (0.55) GRM4JAK2JAK1TYK2JAK3
SCHEMBL9072636 0.82 JAK2 (0.54) GRM4JAK2JAK1TYK2JAK3
SCHEMBL2668208 0.81 GRM4 (0.57) GRM4JAK2JAK1TYK2JAK3
SCHEMBL2668300 0.81 GRM4 (0.57) GRM4JAK2JAK1TYK2JAK3
SCHEMBL16495345 0.81 GRM4 (0.57) GRM4JAK2JAK1TYK2JAK3
SCHEMBL2668225 0.81 JAK2 (0.62) GRM4JAK2JAK1TYK2JAK3
SCHEMBL2668089 0.80 GRM4 (0.52) GRM4JAK2JAK1TYK2JAK3
SCHEMBL16495344 0.78 GRM4 (0.54) GRM4JAK2JAK1TYK2JAK3
SCHEMBL2660635 0.78 GRM4 (0.58) GRM4JAK2MAPK1CLK2DYRK1A

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 2714/4885JAK2 655/4885JAK1 1407/4885

“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.