SCHEMBL13657181

SCHEMBL13657181

Cc1cc(C(=O)N2CCNCC2)ccc1N(C)C(=O)c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
PIK3CB P42338 14/20 0.60
PIK3CD O00329 2/20 0.53
PIK3CG P48736 2/20 0.53
MTOR P42345 1/20 0.53
PRKDC P78527 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
SCHEMBL991013 0.91 PIK3CA (0.72) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12535633 0.83 PIK3CA (0.84) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL989069 0.83 PIK3CA (0.86) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12555280 0.83 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12535893 0.83 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL989302 0.82 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12316876 0.82 PIK3CA (0.86) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL989478 0.80 PIK3CA (0.86) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL988062 0.80 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL989466 0.77 PIK3CA (0.82) 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-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885PIK3CB 9/4885PIK3CD 3/4885

“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.