SCHEMBL12333398

SCHEMBL12333398

Cc1ncnc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
C5AR1 P21730 1/20 0.43
MKNK1 Q9BUB5 6/20 0.43
F12 P00748 1/20 0.43
ADORA1 P30542 2/20 0.42
GRM5 P41594 2/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PDE10A Q9Y233 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL31548527 0.87 ESR2 (0.48) MAPTESR2NR1H2C5AR1MKNK1
SCHEMBL1329919 0.87 ESR2 (0.48) MAPTESR2NR1H2C5AR1MKNK1
SCHEMBL1330087 0.86 ESR2 (0.47) MAPTESR2NR1H2C5AR1MKNK1
SCHEMBL12305710 0.84 MAPT (0.45) MAPTESR2NR1H2C5AR1MKNK1
SCHEMBL17804469 0.80 NOTUM (0.41) MAPTGRM5
SCHEMBL1017552 0.80 POLB (0.43) MAPTESR2NR1H2MKNK1ADORA1
SCHEMBL22715947 0.80 ESR2 (0.43) MAPTESR2NR1H2MKNK1ADORA1
SCHEMBL9951760 0.79 ESR2 (0.48) MAPTESR2NR1H2MKNK1ADORA1
SCHEMBL1013846 0.79 POLB (0.48) MAPTESR2MKNK1ADORA1GPR119
SCHEMBL2511081 0.79 POLB (0.43) MAPTESR2NR1H2MKNK1ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 MAPT 4375/4885ESR2 1352/4885NR1H2 611/4885

“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.