SCHEMBL12690294

SCHEMBL12690294

C/C(N)=N/C(=O)c1cn2c(n1)-c1cc(Br)c(C)cc1OCC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.47
PIK3CD O00329 2/20 0.45
PIK3R1 P27986 2/20 0.45

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
SCHEMBL12690421 0.91 MAP3K14 (0.53) MAP3K14
SCHEMBL15192690 0.87 MAP3K14 (0.59) MAP3K14PIK3CDPIK3R1
SCHEMBL12693532 0.84 MAP3K14 (0.41) MAP3K14PIK3CDPIK3R1
SCHEMBL19594767 0.82 MAP3K14 (0.41) MAP3K14PIK3CDPIK3R1
SCHEMBL12690129 0.81 MAP3K14 (0.44) MAP3K14PIK3CDPIK3R1
SCHEMBL15192368 0.77 MAP3K14 (0.63) MAP3K14
SCHEMBL19594744 0.76 PIK3CD (0.41) MAP3K14PIK3CDPIK3R1
SCHEMBL15194210 0.75 MAP3K14 (0.56) MAP3K14PIK3CDPIK3R1
SCHEMBL12689314 0.75 MAP3K14 (0.43) MAP3K14PIK3CDPIK3R1
SCHEMBL12539133 0.74 PIK3CD (0.40) MAP3K14PIK3CDPIK3R1

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 6 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-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
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 MAP3K14 110/4885PIK3CD 2/4885PIK3R1 7/4885

“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.