SCHEMBL3511299

SCHEMBL3511299

CC(C)(C)OC(=O)Nc1cnc(CC(=O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPKAPK2 P49137 5/20 0.39
GRIN2B Q13224 1/20 0.38
NAMPT P43490 2/20 0.36
CYP17A1 P05093 1/20 0.36
ATR Q13535 1/20 0.36
HDAC1 Q13547 1/20 0.36
BCL2 P10415 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL16246252 0.87 GSK3B (0.41) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL13323075 0.85 GSK3B (0.41) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL27886524 0.84 MAPKAPK2 (0.40) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL29934934 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL2668927 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL611654 0.84 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL7452419 0.84 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL19053692 0.83 MAPKAPK2 (0.42) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL9897762 0.83 GSK3B (0.40) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT
SCHEMBL2644186 0.82 GSK3B (0.39) GSK3BDYRK1AMAPKAPK2GRIN2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC GSK3B 3595/4885DYRK1A 3445/4885PTGDR2 461/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR GSK3B 3415/4885DYRK1A 2612/4885PTGDR2 1147/4885

“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.