SCHEMBL12539629

SCHEMBL12539629

C=C(OCC)c1ccc2c(c1)OCCn1cc(-c3ncnn3CC(C)OC)nc1-2

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.55
PIK3CD O00329 9/20 0.55
PIK3CG P48736 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
SCHEMBL12539221 0.88 PIK3CA (0.59) PIK3CAPIK3CDPIK3CG
SCHEMBL12538639 0.87 PIK3CA (0.56) PIK3CAPIK3CDPIK3CG
SCHEMBL12539179 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3CG
SCHEMBL12539508 0.82 PIK3CA (0.54) PIK3CAPIK3CDPIK3CG
SCHEMBL19594285 0.76 PIK3CD (0.55) PIK3CAPIK3CDPIK3CG
SCHEMBL12539483 0.76 PIK3CD (0.64) PIK3CAPIK3CDPIK3CG
SCHEMBL12539217 0.74 PIK3CA (0.60) PIK3CAPIK3CDPIK3CG
SCHEMBL12539367 0.74 PIK3CA (0.50) PIK3CAPIK3CD
SCHEMBL1485172 0.73 PIK3CA (0.69) PIK3CAPIK3CDPIK3CG
SCHEMBL12538736 0.73 PIK3CA (0.59) 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 7 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
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-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 US 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
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 PIK3CA 1/4885PIK3CD 2/4885PIK3CG 5/4885

“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.