SCHEMBL12693239

SCHEMBL12693239

CC(C)n1nc(CO)nc1-c1cn2c(n1)-c1cnc(I)cc1OCC2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.58
PIK3CA P42336 9/20 0.55

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
SCHEMBL14406548 0.89 PIK3CD (0.56) PIK3CDPIK3CA
SCHEMBL12693154 0.89 PIK3CA (0.56) PIK3CDPIK3CA
SCHEMBL1485158 0.89 PIK3CD (0.58) PIK3CDPIK3CA
SCHEMBL11967564 0.87 PIK3CA (0.59) PIK3CDPIK3CA
SCHEMBL11967568 0.84 PIK3CA (0.59) PIK3CDPIK3CA
SCHEMBL1485328 0.82 PIK3CD (0.65) PIK3CDPIK3CA
SCHEMBL1485728 0.82 PIK3CA (0.66) PIK3CDPIK3CA
SCHEMBL14406555 0.79 PIK3CA (0.54) PIK3CDPIK3CA
SCHEMBL1485494 0.78 PIK3CA (0.56) PIK3CDPIK3CA
SCHEMBL1485088 0.78 PIK3CA (0.67) PIK3CDPIK3CA

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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 US disclosed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CD 7/4885PIK3CA 2/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CD 7/4885PIK3CA 2/4885

“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.