SCHEMBL3512062

SCHEMBL3512062

CC(=O)OCCOc1ccc2nc(N)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 4/20 0.41
PI4KA P42356 4/20 0.41
PIK3CG P48736 4/20 0.41
PI4KB Q9UBF8 4/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HTT P42858 1/20 0.37
APP P05067 1/20 0.36
ACACB O00763 8/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 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
SCHEMBL30526584 0.82 PIK3CA (0.57) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2666814 0.80 PI4KA (0.58) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3511089 0.78 ALDH1A1 (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL10233535 0.78 ALDH1A1 (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1851900 0.77 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30526543 0.77 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL184566 0.77 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19783366 0.77 IKBKB (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL10233444 0.77 HTR7 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9072333 0.76 PIK3CA (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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 10 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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
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-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 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
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
WO-2009091014-A1 PHENYL ACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (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 PIK3CD 785/4885PIK3CA 897/4885PIK3CB 751/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR PIK3CD 1830/4885PIK3CA 1371/4885PIK3CB 1227/4885

“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.