SCHEMBL11900522

SCHEMBL11900522

O=C(O)NC1N=C(c2ccccc2F)c2cc(Br)ccc2NC1=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.64
CCKAR P32238 12/20 0.64

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
SCHEMBL4424632 0.86 CCKBR (0.61) CCKBRCCKAR
SCHEMBL11389506 0.83 GABRA1 (0.61) CCKBRCCKAR
SCHEMBL11385919 0.81 GABRA1 (0.61) CCKBRCCKAR
SCHEMBL30056423 0.80 GABRA1 (0.72) CCKBRCCKAR
SCHEMBL1199478 0.80 GABRA1 (0.72) CCKBRCCKAR
SCHEMBL7718314 0.80 GABRA1 (0.72) CCKBRCCKAR
SCHEMBL3137800 0.80 GABRA1 (0.72) CCKBRCCKAR
SCHEMBL30948956 0.79 GABRA1 (0.57) CCKBR
SCHEMBL9525377 0.78 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525370 0.78 CCKBR (1.00) CCKBRCCKAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202799-A1 Condensed Azepine Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-09 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-20120202799-A1 Condensed Azepine Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRD2 CCKBR 363/4885CCKAR 589/4885

“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.