SCHEMBL1905964

SCHEMBL1905964

C#Cc1ccc2c(c1)[C@H](Nc1ncccn1)C[C@H](C)N2C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.60
BRD2 P25440 8/20 0.56
BRD3 Q15059 7/20 0.56
CCL2 P13500 3/20 0.56
EP300 Q09472 1/20 0.56
BRDT Q58F21 1/20 0.56
CREBBP Q92793 1/20 0.56

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
SCHEMBL1907797 0.84 BRD4 (0.55) BRD4BRD2BRD3CCL2EP300
SCHEMBL1898913 0.83 BRD4 (0.71) BRD4BRD2BRD3CCL2EP300
SCHEMBL13727152 0.82 BRD4 (0.89) BRD4BRD2BRD3CCL2EP300
SCHEMBL13824094 0.82 BRD4 (0.69) BRD4BRD2BRD3CCL2EP300
SCHEMBL1905563 0.82 BRD4 (0.59) BRD4BRD2BRD3CCL2
SCHEMBL19459567 0.79 BRD4 (0.74) BRD4BRD2BRD3CCL2EP300
SCHEMBL11907753 0.77 BRD4 (0.54) BRD4BRD2BRD3CCL2EP300
SCHEMBL11978807 0.76 BRD2 (0.49) BRD4BRD2BRD3
SCHEMBL11980255 0.76 BRD2 (0.65) BRD4BRD2BRD3
SCHEMBL222857 0.74 BRD4 (0.85) BRD4BRD2BRD3

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-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-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP 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
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.