SCHEMBL9612508

SCHEMBL9612508

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CC5CCC3C5)CCO4)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.47
▸ PIK3CG P48736 1/20 0.36
▸ CREBBP Q92793 4/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ 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
SCHEMBL2725879 0.90 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL9612731 0.85 PIK3CA (0.48) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL9612581 0.85 PIK3CA (0.49) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL3795931 0.85 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL9612750 0.84 PIK3CA (0.49) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL9612735 0.84 PIK3CA (0.49) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL9612744 0.84 PIK3CA (0.49) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL15433943 0.84 PIK3CA (0.46) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL9612757 0.84 PIK3CA (0.51) PIK3CAPIK3CGCREBBPHSD11B1BRD4
SCHEMBL9612499 0.83 PIK3CA (0.53) PIK3CAPIK3CGCREBBPFGFR1FGFR2

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-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
WO-2012071509-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 — — 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-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.

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