SCHEMBL9288017

SCHEMBL9288017

Cc1nc(N)nc(N2CCOc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc3C2)c1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.45
PIK3CD O00329 12/20 0.45
PIK3CB P42338 9/20 0.45
PIK3CG P48736 9/20 0.45
PRKDC P78527 2/20 0.41
MTOR P42345 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PIK3R1 P27986 1/20 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
SCHEMBL9286773 0.91 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9281091 0.91 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9274132 0.91 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9281817 0.89 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9278074 0.88 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL16476833 0.87 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9278081 0.87 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9286368 0.86 PIK3CD (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9284829 0.86 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL9280334 0.86 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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
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 PIK3CA 4/4885PIK3CD 9/4885PIK3CB 17/4885

“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.