SCHEMBL1905779

SCHEMBL1905779

COc1cc2c(O)c(C(=O)O)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.58
CYP3A4 P08684 10/20 0.58
CYP2C9 P11712 10/20 0.58
BRD2 P25440 7/20 0.58
BRD3 Q15059 7/20 0.58
CYP2C19 P33261 1/20 0.53
PDE4B Q07343 1/20 0.53

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
SCHEMBL1902486 0.88 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL11980665 0.88 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18250005 0.84 BRD4 (0.44) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18249906 0.83 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18716011 0.82 BRD4 (0.59) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15801132 0.82 BRD4 (0.56) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15985177 0.82 BRD4 (0.68) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1903177 0.81 BRD4 (0.67) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1903791 0.81 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL14756281 0.79 CYP3A4 (0.75) BRD4CYP3A4CYP2C9BRD2BRD3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699573-B1 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-05-31 EP disclosed
EP-2699573-B1 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-05-31 EP disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2015-05-14 US disclosed
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2015-05-14 US disclosed
US-8846709-B2 7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1H-imidazo[4,5-C]quinoline derivatives GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846709-B2 7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1H-imidazo[4,5-C]quinoline derivatives GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846709-B2 7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1H-imidazo[4,5-C]quinoline derivatives GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2012143416-A2 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
EP-2496576-A1 IMIDAZO [4, 5-C]QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
EP-2496235-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054843-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054843-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES 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 (4 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-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885CYP3A4 4765/4885CYP2C9 4863/4885
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885CYP3A4 4765/4885CYP2C9 4863/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885CYP3A4 4738/4885CYP2C9 4863/4885
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 BRD4 1/4885CYP3A4 1579/4885CYP2C9 3411/4885

“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.