SCHEMBL12539370

SCHEMBL12539370

Clc1cc2c(cn1)-c1nc(-c3ccccn3)cn1CCO2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.45
PIK3CD O00329 4/20 0.40
MAP3K14 Q99558 1/20 0.39
PIK3CG P48736 1/20 0.36

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
SCHEMBL12539146 0.81 PIK3CA (0.47) PIK3CAPIK3CDPIK3CG
SCHEMBL1485285 0.79 PIK3CA (0.45) PIK3CAPIK3CDMAP3K14
SCHEMBL12688777 0.79 PIK3CA (0.56) PIK3CAPIK3CDPIK3CG
SCHEMBL12538759 0.79 PIK3CD (0.47) PIK3CAPIK3CDMAP3K14PIK3CG
SCHEMBL1485290 0.79 PIK3CA (0.49) PIK3CAPIK3CDPIK3CG
SCHEMBL18923813 0.78 PIK3CA (0.47) PIK3CAPIK3CDMAP3K14
SCHEMBL1485533 0.78 PIK3CA (0.55) PIK3CAPIK3CD
SCHEMBL1485581 0.77 PIK3CA (0.43) PIK3CAPIK3CDMAP3K14
SCHEMBL12539418 0.76 PIK3CD (0.65) PIK3CAPIK3CDPIK3CG
SCHEMBL19594224 0.76 PIK3CD (0.65) 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 9 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
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US disclosed
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 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-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 PIK3CA 1/4885PIK3CD 2/4885MAP3K14 110/4885

“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.