SCHEMBL12313618

SCHEMBL12313618

O=C(O)C1Cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2S1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.57
PIK3CB P42338 10/20 0.57
PIK3CD O00329 12/20 0.54
PIK3CG P48736 10/20 0.54
MTOR P42345 1/20 0.53

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
SCHEMBL12994731 0.92 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12995035 0.90 PIK3CA (0.58) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994793 0.90 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL19142225 0.88 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994696 0.84 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL19142924 0.84 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994698 0.83 PIK3CA (0.54) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994762 0.82 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL13178194 0.82 PIK3CA (0.49) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994747 0.82 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885PIK3CB 2/4885PIK3CD 5/4885

“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.