SCHEMBL2668239

SCHEMBL2668239

CC(C)Cc1cc(OCc2ccccn2)c2[nH]nc(Nc3nccs3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.42
GRM4 Q14833 2/20 0.39
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
ALK Q9UM73 1/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33

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
SCHEMBL2668191 0.91 GRM4 (0.37) GCKGRM4PGRADORA3PTGS1
SCHEMBL9072623 0.90 GCK (0.43) GCKGRM4ALDH1A1L3MBTL1KDM4E
SCHEMBL9072624 0.86 GRM4 (0.36) GCKGRM4ALDH1A1L3MBTL1KDM4E
SCHEMBL2668098 0.86 ALDH1A1 (0.36) GCKGRM4ALDH1A1L3MBTL1KDM4E
SCHEMBL2668244 0.86 SCN1A (0.44) GRM4ALDH1A1KDM4ELMNAHTT
SCHEMBL2661861 0.86 ALDH1A1 (0.43) GRM4ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2668228 0.85 GCK (0.44) GCKGRM4ALKMAOALMNA
SCHEMBL9072625 0.84 GCK (0.37) GCKPGRADORA3PTGS1SLC6A2
SCHEMBL2661990 0.83 GCK (0.37) GCKGRM4PGRADORA3PTGS1
SCHEMBL2661052 0.82 GCK (0.36) GCKGRM4PGRADORA3PTGS1

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 GCK 2/4885GRM4 2714/4885PGR 2628/4885

“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.