SCHEMBL9286368

SCHEMBL9286368

CCc1cnc(N)nc1N1CCOc2ccc(-c3cnc(Cl)c(NS(C)(=O)=O)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.46
PIK3CA P42336 11/20 0.46
PIK3CG P48736 10/20 0.46
PIK3CB P42338 9/20 0.46
MTOR P42345 4/20 0.39
PRKDC P78527 3/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
EGFR P00533 1/20 0.36
PIK3R1 P27986 2/20 0.36

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
SCHEMBL9284829 0.89 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9274132 0.88 PIK3CA (0.42) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9280334 0.88 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9278081 0.88 PIK3CD (0.43) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL16476835 0.87 PIK3CA (0.46) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9279553 0.86 PIK3CA (0.41) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9288017 0.86 PIK3CA (0.45) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9278074 0.86 PIK3CA (0.44) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9281817 0.86 PIK3CA (0.41) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL9286773 0.85 PIK3CA (0.42) PIK3CDPIK3CAPIK3CGPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005172-A1 Benzoxazepines as Inhibitors of PI3K/M TOR and Methods of Their Use and Manufacture ELELIXIS, INC. (US) 2014-01-02 US claimed
EP-2643319-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP claimed
WO-2012074869-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-06-07 WO claimed
US-20140005172-A1 Benzoxazepines as Inhibitors of PI3K/M TOR and Methods of Their Use and Manufacture ELELIXIS, INC. (US) 2014-01-02 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-20140005172-A1 Benzoxazepines as Inhibitors of PI3K/M TOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3R2 PIK3CD 9/4885PIK3CA 4/4885PIK3CG 20/4885

“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.