SCHEMBL18655437

SCHEMBL18655437

CC(C)(C)Cn1cnc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
ALPL P05186 2/20 0.38
PLAA Q9Y263 1/20 0.38
ALPG P10696 1/20 0.37
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL1485063 0.86 AR (0.41) ARALPLPLAAALPG
SCHEMBL16532166 0.86 AR (0.41) ARALPLPLAAALPG
SCHEMBL30961358 0.81 KDM2B (0.44) ARALPLPLAAALPG
SCHEMBL22083730 0.78 ALPL (0.38) ALPLPLAAALPGPI4KAPI4K2B
SCHEMBL19700911 0.78 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KB
SCHEMBL317055 0.77
SCHEMBL12689153 0.77 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL19700912 0.74 CPB1 (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL14008074 0.74 MAP3K5 (0.31) PI4KAPI4K2BPI4K2API4KB
SCHEMBL27654362 0.72 CPB2 (0.38) ALPLPLAAALPG

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-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 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-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA AR 1573/4885ALPL 4470/4885PLAA 1468/4885

“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.