SCHEMBL12689356

SCHEMBL12689356

NC(=O)c1cn2c(n1)-c1cc(Cl)cnc1OCC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47

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
SCHEMBL12689119 0.80 MEN1 (0.37) MAP3K14PIK3CDPIK3R1
SCHEMBL12688941 0.79 ALPL (0.35) PIK3CD
SCHEMBL1485001 0.79 MAP3K14 (0.54) MAP3K14PIK3CDPIK3R1
SCHEMBL1485171 0.79 MAP3K14 (0.57) MAP3K14PIK3CDPIK3R1
SCHEMBL1485374 0.79 MAP3K14 (0.48) MAP3K14PIK3CDPIK3R1
SCHEMBL15194210 0.74 MAP3K14 (0.56) MAP3K14PIK3CDPIK3R1
SCHEMBL12689081 0.72 ALPL (0.53) PIK3CD
SCHEMBL15202245 0.72 MAP3K14 (0.59) MAP3K14PIK3CDPIK3R1
SCHEMBL12693227 0.71 MAP3K14 (0.59) MAP3K14PIK3CDPIK3R1
SCHEMBL1485427 0.71 MAP3K14 (0.64) 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 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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAP3K14 210/4885PIK3CD 7/4885PIK3R1 15/4885

“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.