SCHEMBL856687

SCHEMBL856687

CN(CCO)S(=O)(=O)c1cc(-c2ccc3c(c2)CN(c2ncnc4c2CC(C)(C)CC4)CCO3)cnc1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.34
PRKDC P78527 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
PIK3CD O00329 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31

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
SCHEMBL856530 0.93 PIK3CA (0.34) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL856659 0.91 PIK3CA (0.36) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL859162 0.88 PIK3CA (0.38) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL857387 0.88 PIK3CA (0.35) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL859021 0.88 PIK3C3 (0.38) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL858813 0.87 PIK3CA (0.37) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL854558 0.87 PIK3CA (0.40) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL859607 0.87 PIK3C3 (0.37) PIK3CAPRKDCPIK3CDPIK3CBPIK3CG
SCHEMBL859016 0.86 PIK3C3 (0.34) PIK3CAPRKDCPIK3CDPIK3CG
SCHEMBL856037 0.86 PIK3C3 (0.35) PIK3CAPRKDCPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US claimed
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-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 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 (2 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PRKDC 2737/4885PDE4A 1259/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PRKDC 2431/4885PDE4A 924/4885

“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.