SCHEMBL13728008

SCHEMBL13728008

CC(=O)N1c2ccc(C#C[Si](C)(C)C)cc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.84
CCL2 P13500 3/20 0.69
BRD2 P25440 5/20 0.54
BRD3 Q15059 4/20 0.54
EP300 Q09472 1/20 0.46
BRDT Q58F21 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL13727152 0.88 BRD4 (0.89) BRD4CCL2BRD2BRD3EP300
SCHEMBL13727552 0.86 BRD4 (0.85) BRD4CCL2BRD2BRD3EP300
SCHEMBL17594284 0.85 BRD4 (0.84) BRD4CCL2BRD2BRD3EP300
SCHEMBL19460002 0.85 BRD4 (0.84) BRD4CCL2BRD2BRD3EP300
SCHEMBL15450317 0.83 BRD4 (0.79) BRD4CCL2BRD2BRD3
SCHEMBL13724312 0.82 BRD4 (0.75) BRD4CCL2BRD2BRD3EP300
SCHEMBL19478154 0.82 BRD4 (0.86) BRD4CCL2BRD2BRD3EP300
SCHEMBL13724287 0.82 BRD4 (0.78) BRD4CCL2BRD2BRD3EP300
SCHEMBL11908635 0.82 BRD4 (0.74) BRD4CCL2BRD2BRD3EP300
SCHEMBL13722925 0.82 BRD4 (0.74) BRD4CCL2BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705032-B1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-06-15 EP disclosed
EP-2705032-B1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-06-15 EP disclosed
US-9315487-B2 Tetrahydroquinoline derivatives useful as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2016-04-19 US disclosed
US-9315487-B2 Tetrahydroquinoline derivatives useful as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2016-04-19 US disclosed
US-9315487-B2 Tetrahydroquinoline derivatives useful as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2016-04-19 US disclosed
EP-2705032-A1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-03-12 EP disclosed
US-20140066459-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-03-06 US disclosed
US-20140066459-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-03-06 US disclosed
US-20140066459-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-03-06 US disclosed
WO-2012150234-A1 DIHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-08 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-20140066459-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 BRD4 1/4885CCL2 1615/4885BRD2 4/4885

“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.