SCHEMBL855905

SCHEMBL855905

CC1(C)CCc2ncnc(N3CCOc4ccc(-c5ccc(Cl)c(NS(C)(=O)=O)c5)cc4C3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 5/20 0.34
CYP2D6 P10635 1/20 0.34
FABP4 P15090 1/20 0.34
PIK3CA P42336 8/20 0.34
PIK3CD O00329 6/20 0.34
PIK3CG P48736 5/20 0.34
PIK3CB P42338 4/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
HIF1A Q16665 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.32
MTOR P42345 1/20 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
SCHEMBL856735 0.93 PIK3CD (0.40) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL861949 0.90 PIK3CA (0.40) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL3797807 0.90 PIK3CA (0.36) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL855650 0.90 PIK3CA (0.37) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL861306 0.90 PIK3CD (0.35) GPR142PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3810593 0.89 PIK3CD (0.35) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL3806861 0.89 LMNA (0.39) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL861903 0.89 PIK3CD (0.35) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL856695 0.88 PIK3CD (0.34) PIK3CAPIK3CDPIK3CGPIK3CBLMNA
SCHEMBL861780 0.88 PIK3CD (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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 14 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-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
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-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO 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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO 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 GPR142 1660/4885CYP2D6 746/4885FABP4 3710/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 2004/4885CYP2D6 984/4885FABP4 3751/4885

“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.