SCHEMBL857491

SCHEMBL857491

CN(C)Cc1nc2c(c(N3CCOc4ccc(-c5ccc6nc(N(C)C(=O)O)[nH]c6c5)cc4C3)n1)CC(C)(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.37
ITK Q08881 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CREBBP Q92793 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL858187 0.92 PIK3CA (0.33) PIK3CAITK
SCHEMBL3723556 0.89 PIK3CA (0.38) PIK3CAHDAC3HDAC1HDAC2HDAC8
SCHEMBL857924 0.88 PIK3CA (0.43) PIK3CAPIK3CDPIK3CB
SCHEMBL857178 0.88 PIK3CA (0.38) PIK3CAITKHDAC3HDAC1HDAC2
SCHEMBL7861444 0.86 RAF1 (0.37) PIK3CA
SCHEMBL3716219 0.82 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL858765 0.82 GPR142 (0.34) PIK3CAPIK3CDPIK3CB
SCHEMBL858862 0.81 CREBBP (0.34) PIK3CACREBBP
SCHEMBL3764167 0.81 GPR142 (0.35) PIK3CAPIK3CDPIK3CB
SCHEMBL856414 0.81 PIK3CD (0.30) PIK3CAPIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP 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 (1 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885ITK 1937/4885HDAC3 343/4885

“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.