SCHEMBL10125673

SCHEMBL10125673

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.53
PIK3CD O00329 8/20 0.51
PIK3CA P42336 8/20 0.51
PIK3CG P48736 8/20 0.51
ACACB O00763 6/20 0.51
ACACA Q13085 6/20 0.51
NAPEPLD Q6IQ20 2/20 0.48

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
SCHEMBL10124321 0.93 PIK3CD (0.53) PIK3CBPIK3CDPIK3CAPIK3CGACACB
SCHEMBL10124320 0.93 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGNAPEPLD
SCHEMBL16308116 0.89 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL10154227 0.88 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGNAPEPLD
SCHEMBL9949632 0.87 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL9949625 0.87 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL9960427 0.87 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308184 0.87 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308158 0.87 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308156 0.87 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PIK3CB 13/4885PIK3CD 7/4885PIK3CA 28/4885

“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.