SCHEMBL12539295

SCHEMBL12539295

Cc1nc(-c2cn3c(n2)-c2cc(Cl)ncc2OCC3)n(C(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.66
PIK3CA P42336 2/20 0.63

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
SCHEMBL12539623 0.93 PIK3CA (0.65) PIK3CDPIK3CA
SCHEMBL12539435 0.87 PIK3CD (0.73) PIK3CDPIK3CA
SCHEMBL1485327 0.86 PIK3CA (0.70) PIK3CDPIK3CA
SCHEMBL12539548 0.84 PIK3CD (0.62) PIK3CDPIK3CA
SCHEMBL11967458 0.84 PIK3CD (0.77) PIK3CDPIK3CA
SCHEMBL12688849 0.83 PIK3CD (0.68) PIK3CDPIK3CA
SCHEMBL1485088 0.82 PIK3CA (0.67) PIK3CDPIK3CA
SCHEMBL12688800 0.82 PIK3CA (0.76) PIK3CDPIK3CA
SCHEMBL11967455 0.81 PIK3CD (0.67) PIK3CDPIK3CA
SCHEMBL12539084 0.81 PIK3CD (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 US disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 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-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 PIK3CD 2/4885PIK3CA 1/4885

“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.