SCHEMBL15433955

SCHEMBL15433955

CC1=C[C@H]2CN(C(=O)N3CCOc4c(C)cc(-c5ccc6nc(C)[nH]c6c5)cc4C3)C[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.48
PIK3CG P48736 1/20 0.34
CREBBP Q92793 3/20 0.31
BRD4 O60885 1/20 0.31
EP300 Q09472 1/20 0.31
HSD11B1 P28845 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 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
SCHEMBL9612540 0.94 PIK3CA (0.41) PIK3CACREBBPBRD4EP300
SCHEMBL9612744 0.88 PIK3CA (0.49) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL15433940 0.85 PIK3CA (0.46) PIK3CAPIK3CGCREBBPBRD4FGFR1
SCHEMBL9612538 0.84 PIK3CA (0.53) PIK3CAPIK3CGCREBBP
SCHEMBL9612499 0.84 PIK3CA (0.53) PIK3CAPIK3CGCREBBPFGFR1FGFR2
SCHEMBL9612743 0.84 PIK3CA (0.48) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL9612564 0.84 PIK3CA (0.48) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL9612539 0.84 PIK3CA (0.53) PIK3CAPIK3CGCREBBP
SCHEMBL15433948 0.84 PIK3CA (0.53) PIK3CAPIK3CGCREBBP
SCHEMBL9612534 0.84 PIK3CA (0.53) PIK3CAPIK3CGCREBBP

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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CG 10/4885CREBBP 259/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885PIK3CG 10/4885CREBBP 259/4885

“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.