SCHEMBL3723449

SCHEMBL3723449

CC[C@H]1CCc2c(nc(C)nc2N2CCOc3ccc(-c4cnc5nc(NC(=O)O)[nH]c5c4)cc3C2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.34
CREBBP Q92793 3/20 0.32
TBK1 Q9UHD2 1/20 0.31
GPR142 Q7Z601 1/20 0.30
MAPK10 P53779 2/20 0.30
MTOR P42345 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
SCHEMBL13057045 0.94 PIK3CA (0.33) PIK3CACREBBPTBK1GPR142MAPK10
SCHEMBL3717364 0.92 PIK3CA (0.34) PIK3CACREBBPTBK1GPR142
SCHEMBL857157 0.89 PIK3CA (0.35) PIK3CA
SCHEMBL3762685 0.89 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL856549 0.89 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL7859249 0.86 PIK3CA (0.33) PIK3CACREBBPTBK1GPR142
SCHEMBL3763768 0.84 PIK3CA (0.34) PIK3CAMTOR
SCHEMBL857661 0.84 PIK3CA (0.35) PIK3CA
SCHEMBL7863705 0.83 PRMT5 (0.32) PIK3CA
SCHEMBL858635 0.81 PIK3CA (0.35) PIK3CA

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 5 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-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 3/4885CREBBP 259/4885TBK1 640/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 257/4885TBK1 628/4885

“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.