SCHEMBL2668091

SCHEMBL2668091

c1csc(Nc2n[nH]c3ccc(-c4nccs4)cc23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.55
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CHEK1 O14757 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
TLR9 Q9NR96 1/20 0.41
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CDK7 P50613 1/20 0.37
ADRB2 P07550 1/20 0.37
PDPK1 O15530 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
FADS1 O60427 1/20 0.36
MAPK8 P45983 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL2668089 0.86 GRM4 (0.52) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL9072655 0.84 GRM4 (0.55) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL2668092 0.83 GRM4 (0.57) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL2660645 0.82 GRM4 (0.58) GRM4MAPK1FADS1
SCHEMBL2660111 0.82 GRM4 (0.58) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL2667982 0.82 GRM4 (0.58) GRM4MAPK1FADS1
SCHEMBL2660635 0.82 GRM4 (0.58) GRM4MAPK1JAK2PDPK1FADS1
SCHEMBL9072636 0.81 JAK2 (0.54) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL16495345 0.80 GRM4 (0.57) GRM4MAPK1JAK2JAK1TYK2
SCHEMBL2668226 0.80 GRM4 (0.48) GRM4MAPK1JAK2JAK1TYK2

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 2714/4885MAPK1 721/4885JAK2 655/4885

“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.