SCHEMBL13733901

SCHEMBL13733901

COc1cc2c(NCC3CCOCC3)c(N)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.56
CYP3A4 P08684 6/20 0.56
CYP2C9 P11712 5/20 0.56
BRD2 P25440 2/20 0.53
BRD3 Q15059 2/20 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
SCHEMBL13732062 0.87 BRD4 (0.69) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL13731571 0.87 BRD4 (0.56) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619143 0.87 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619060 0.87 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619573 0.87 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619461 0.86 BRD4 (0.64) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16774314 0.81 BRD4 (0.58) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17967453 0.80 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15972881 0.79 LMNA (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17967397 0.79 BRD4 (0.50) 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 10 patents. 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
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
EP-2699573-A2 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
US-20140045834-A1 7-(3,5-Dimethyl-4-Isoxazolyl)-8-(Methyloxy)-1H-Imidazo[4,5-C]Quinoline Derivatives GLAXOSMITHKLINE LLC (US) 2014-02-13 US disclosed
US-20140045834-A1 7-(3,5-Dimethyl-4-Isoxazolyl)-8-(Methyloxy)-1H-Imidazo[4,5-C]Quinoline Derivatives GLAXOSMITHKLINE LLC (US) 2014-02-13 US disclosed
US-20140045834-A1 7-(3,5-Dimethyl-4-Isoxazolyl)-8-(Methyloxy)-1H-Imidazo[4,5-C]Quinoline Derivatives GLAXOSMITHKLINE LLC (US) 2014-02-13 US disclosed
WO-2012143416-A2 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-10-26 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-20140045834-A1 7-(3,5-Dimethyl-4-Isoxazolyl)-8-(Methyloxy)-1H-Imidazo[4,5-C]Quinoline Derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT2B7, UGT1A7 BRD4 5/4885CYP3A4 45/4885CYP2C9 1133/4885

“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.