SCHEMBL16459945

SCHEMBL16459945

Cc1cc(-c2cnc3sc(N)nc3c2)cc2c1OCCN(c1nc(N)nc(C)c1C)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.33
MTOR P42345 6/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
SYK P43405 1/20 0.31
MAP3K9 P80192 1/20 0.31
PIK3R1 P27986 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
SCHEMBL16476919 0.93 PIK3CA (0.32) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16476856 0.92 PIK3CA (0.31) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16476878 0.90
SCHEMBL16476899 0.90 PIK3CA (0.31) PIK3CAMTORPIK3CD
SCHEMBL16460902 0.90 NUDT1 (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16460887 0.90 PIK3CA (0.31) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16476865 0.90 PIK3CA (0.34) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16476859 0.89 MTOR (0.31) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16476893 0.89 PIK3CD (0.31) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16460208 0.89 PIK3CD (0.31) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US claimed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 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 (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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885PIK3CD 4/4885

“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.