SCHEMBL1907382

SCHEMBL1907382

COc1cc2c(NCc3ccccn3)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.57
CYP3A4 P08684 9/20 0.56
CYP2C9 P11712 9/20 0.56
BRD2 P25440 7/20 0.56
BRD3 Q15059 7/20 0.56
CYP2C19 P33261 2/20 0.49
PDE4B Q07343 2/20 0.49
CACNA1A O00555 1/20 0.49
CHRNA1 P02708 1/20 0.49
CYP2D6 P10635 1/20 0.49
CCL2 P13500 1/20 0.49
KCNA5 P22460 1/20 0.49
TACR1 P25103 1/20 0.49
MAOB P27338 1/20 0.49
AVPR1A P37288 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
BRDT Q58F21 1/20 0.49
CREBBP Q92793 1/20 0.49
KCNH3 Q9ULD8 1/20 0.49

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
SCHEMBL16619507 0.92 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619496 0.89 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18904305 0.88 BRD4 (0.61) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1905996 0.86 BRD4 (0.62) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15973101 0.85 LMNA (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907500 0.85 CYP3A4 (0.68) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619157 0.84 CYP3A4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619333 0.84 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907697 0.84 BRD4 (0.57) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16618838 0.84 CYP3A4 (0.55) 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 13 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
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
EP-2496576-B1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-18 EP disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US 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
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 (2 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
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.