SCHEMBL2396554

SCHEMBL2396554

CC=CC(=O)CCC(=O)NCC(=O)N1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
PIK3CD O00329 13/20 0.62
PIK3CB P42338 12/20 0.62
PIK3CG P48736 12/20 0.62
MTOR P42345 2/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL1497335 1.00 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497501 0.93 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497498 0.93 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2396645 0.88 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497332 0.88 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497315 0.86 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497495 0.84 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1497496 0.84 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12832388 0.83 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL964129 0.83 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 1/4885PIK3CD 5/4885PIK3CB 2/4885

“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.