SCHEMBL856444

SCHEMBL856444

COC(=O)Nc1nc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
MTOR P42345 1/20 0.43
GPR142 Q7Z601 6/20 0.41
CREBBP Q92793 5/20 0.41
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL859228 0.88 PIK3CA (0.44) PIK3CAMTORGPR142CREBBPTBK1
SCHEMBL2727189 0.88 PIK3CA (0.51) PIK3CACREBBPTBK1
SCHEMBL8514738 0.79 PIK3CA (0.45) PIK3CAMTORGPR142CREBBP
SCHEMBL3756231 0.79 PIK3CA (0.70) PIK3CAMTORGPR142CREBBP
SCHEMBL3749745 0.78 PIK3CA (0.49) PIK3CAMTORGPR142
SCHEMBL856387 0.78 PIK3CA (0.43) PIK3CAMTORGPR142CREBBPTBK1
SCHEMBL6126342 0.78 CREBBP (0.46) PIK3CACREBBPTBK1
SCHEMBL2724976 0.77 PIK3CA (0.46) PIK3CAGPR142TBK1
SCHEMBL856320 0.77 PIK3CA (0.49) PIK3CAMTORGPR142CREBBP
SCHEMBL30405764 0.77 PIK3CA (0.62) PIK3CAMTORGPR142CREBBP

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 11 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-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 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-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 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
EP-2435426-B1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2013-05-22 EP disclosed
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 US 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
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 (4 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 3/4885MTOR 1/4885GPR142 1660/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885GPR142 2004/4885
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture PIK3R1, PIK3R3, PIK3R2 PIK3CA 13/4885MTOR 10/4885GPR142 2679/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885GPR142 1906/4885

“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.