SCHEMBL11907753

SCHEMBL11907753

CC(=O)N1c2ccc(-c3c[nH]nn3)cc2[C@H](Nc2ncccn2)C[C@@H]1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.54
BRD2 P25440 18/20 0.54
BRD3 Q15059 15/20 0.54
CCL2 P13500 1/20 0.51
EP300 Q09472 1/20 0.51
BRDT Q58F21 1/20 0.51
CREBBP Q92793 1/20 0.51

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
SCHEMBL11907037 0.85 BRD4 (0.65) BRD4BRD2BRD3CCL2
SCHEMBL1908505 0.85 BRD4 (0.65) BRD4BRD2BRD3CCL2
SCHEMBL13824045 0.84 BRD4 (0.54) BRD4BRD2BRD3CCL2EP300
SCHEMBL11907638 0.84 BRD4 (0.51) BRD4BRD2BRD3
SCHEMBL13726668 0.82 BRD4 (0.73) BRD4BRD2BRD3CCL2
SCHEMBL11985051 0.81 BRD2 (0.71) BRD4BRD2BRD3
SCHEMBL15437668 0.78 BRD4 (0.61) BRD4BRD2BRD3CCL2
SCHEMBL1905964 0.77 BRD4 (0.60) BRD4BRD2BRD3CCL2EP300
SCHEMBL1871823 0.74 BRD2 (0.43) BRD4BRD2BRD3EP300BRDT
SCHEMBL11978863 0.74 BRD4 (0.52) BRD4BRD2BRD3CCL2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors BRD4, BRDT, BRPF3 BRD4 1/4885BRD2 5/4885BRD3 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.