SCHEMBL3760157

SCHEMBL3760157

C[C@H](NC(=O)O)c1nc2ncc(-c3ccc4c(c3)CN(c3ncnc5c3CC(C)(C)CC5)CCO4)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.34
CREBBP Q92793 5/20 0.32
CYP11B2 P19099 1/20 0.32
GPR142 Q7Z601 1/20 0.30
KIT P10721 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 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
SCHEMBL7859135 0.90 AAK1 (0.34) PIK3CACYP11B2
SCHEMBL3760653 0.88 PIK3CA (0.35) PIK3CACREBBPGPR142KITPIK3CD
SCHEMBL861994 0.86 PIK3CA (0.37) PIK3CACREBBPKITPIK3CDPIK3CB
SCHEMBL3758340 0.86 PIK3CA (0.35) PIK3CAMTOR
SCHEMBL859319 0.86 PIK3CA (0.34) PIK3CACREBBPKITPIK3CDPIK3CB
SCHEMBL15522787 0.85 PIK3CA (0.35) PIK3CACREBBPGPR142MTOR
SCHEMBL8594756 0.84 PIK3CA (0.35) PIK3CACREBBPGPR142MTOR
SCHEMBL13057043 0.83 CLK1 (0.34) PIK3CACREBBPCYP11B2GPR142PIK3CD
SCHEMBL15523843 0.83 PIK3CA (0.34) PIK3CACREBBPGPR142MTOR
SCHEMBL7810226 0.83 PIK3CA (0.33) PIK3CAKITPIK3CDPIK3CBPIK3CG

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 4 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

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 259/4885CYP11B2 487/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 257/4885CYP11B2 533/4885

“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.