SCHEMBL12837668

SCHEMBL12837668

Cc1nc(-c2cn3c(n2)-c2cnc(N4CCCC4)cc2OCC3)n(C(C)C)n1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.78
PIK3CD O00329 17/20 0.59
PIK3R2 O00459 1/20 0.57
PIK3C2B O00750 1/20 0.57
PIK3CB P42338 1/20 0.57
MTOR P42345 1/20 0.57
PIK3CG P48736 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57

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
SCHEMBL12838018 0.88 PIK3CA (0.61) PIK3CAPIK3CD
SCHEMBL12837962 0.88 PIK3CA (0.61) PIK3CAPIK3CD
SCHEMBL12837963 0.87 PIK3CA (0.60) PIK3CAPIK3CDPIK3R2PIK3C2BPIK3CB
SCHEMBL12838010 0.87 PIK3CA (0.60) PIK3CAPIK3CDPIK3R2PIK3C2BPIK3CB
SCHEMBL12837961 0.87 PIK3CA (0.60) PIK3CAPIK3CD
SCHEMBL1485478 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3CG
SCHEMBL12688800 0.85 PIK3CA (0.76) PIK3CAPIK3CDPIK3R2PIK3C2BPIK3CB
SCHEMBL1485088 0.85 PIK3CA (0.67) PIK3CAPIK3CDPIK3R2PIK3C2BPIK3CB
SCHEMBL12539623 0.85 PIK3CA (0.65) PIK3CAPIK3CDPIK3R2PIK3C2BPIK3CB
SCHEMBL18659511 0.85 PIK3CA (0.75) PIK3CAPIK3CDPIK3CG

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-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (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-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3R2 19/4885

“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.