SCHEMBL7859613

SCHEMBL7859613

Cc1nc2c(c(N3CCOc4ccc(-c5cnc6c(c5)S(=O)(=O)N(C)N6)cc4C3)n1)CC(C)(C)CC2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.30
PRKDC P78527 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL15603753 0.90 PIK3CA (0.32) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL7863852 0.81 PIK3C3 (0.32) PIK3CAPIK3C3
SCHEMBL859404 0.81 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL858509 0.78 PIK3CA (0.33) PIK3CAPIK3CDPIK3CBPIK3CGNTRK1
SCHEMBL3761313 0.78 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL858852 0.78 PRKDC (0.35) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL859013 0.78 USP30 (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3758492 0.77 PIK3CA (0.32) PIK3CAPIK3CDPIK3CBPIK3CGNTRK1
SCHEMBL858783 0.77 PIK3CA (0.32) PIK3CA
SCHEMBL856436 0.76 PIK3C3 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3

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
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CD 4/4885PIK3CB 10/4885

“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.