SCHEMBL2657643

SCHEMBL2657643

CC(C)(C)OC(=O)c1cccnc1-c1ccc(F)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 1/20 0.38
CNR2 P34972 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
TRPA1 O75762 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAOB P27338 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 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
SCHEMBL3578614 0.84 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL2668166 0.75 CNR2 (0.47) GRM4TRPV1GABRA1GABRG2GABRB3
SCHEMBL30617923 0.74 TDP1 (0.41) KDM4EALDH1A1
SCHEMBL2656704 0.74 SQOR (0.47) GRM4TRPV1GABRA1GABRG2GABRB3
SCHEMBL13545894 0.73 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL6654063 0.73 TRPA1 (0.48) GRM4GABRA1GABRG2GABRB3GABRA3
SCHEMBL3591093 0.72 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL16680394 0.72 PIK3CA (0.38) TRPV1PDE10APIK3CAMTOR
SCHEMBL2656820 0.72 CYP11B2 (0.51) GRM4CNR2SLC22A12PDE10AMAOB
SCHEMBL1180189 0.71 RPA1 (0.42) CNR2EGLN2TRPA1KDM4EALDH1A1

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 5 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
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 GRM4 2714/4885TRPV1 2104/4885GABRA1 2462/4885

“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.