Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612502

SCHEMBL9612502

SCHEMBL9612502

COC1CCN(C(=O)N2CCOc3c(C)cc(-c4ccc5nc(C)[nH]c5c4)cc3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.49
▸ PIK3CG P48736 1/20 0.37
▸ CREBBP Q92793 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9612757 0.92 PIK3CA (0.51) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL9612538 0.90 PIK3CA (0.53) PIK3CAPIK3CGCREBBPNPC1RAB9A
SCHEMBL9612499 0.90 PIK3CA (0.53) PIK3CAPIK3CGCREBBPHPGDKDM4E
SCHEMBL9612505 0.89 PIK3CA (0.49) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL2727768 0.89 PIK3CA (0.62) PIK3CACREBBP
SCHEMBL15433948 0.89 PIK3CA (0.53) PIK3CAPIK3CGCREBBPNPC1ALDH1A1
SCHEMBL9612539 0.89 PIK3CA (0.53) PIK3CAPIK3CGCREBBPNPC1ALDH1A1
SCHEMBL9612534 0.89 PIK3CA (0.53) PIK3CAPIK3CGCREBBPNPC1ALDH1A1
SCHEMBL9612600 0.89 PIK3CA (0.50) PIK3CAPIK3CGCREBBPBRD4EP300
SCHEMBL9612739 0.89 PIK3CA (0.50) PIK3CAPIK3CGCREBBPBRD4EP300

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.