Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908339

SCHEMBL1908339

SCHEMBL1908339

Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c([N+](=O)[O-])cnc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.71
▸ CYP3A4 P08684 6/20 0.71
▸ CYP2C9 P11712 5/20 0.71
▸ BRD2 P25440 5/20 0.71
▸ BRD3 Q15059 5/20 0.71
▸ SLC2A1 P11166 1/20 0.46
▸ FTO Q9C0B1 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ERN1 O75460 1/20 0.39

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
SCHEMBL12168779 0.84 CYP3A4 (0.76) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619571 0.84 CYP3A4 (0.72) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL12188604 0.84 BRD4 (0.73) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619529 0.82 LMNA (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619532 0.82 LMNA (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1908122 0.76 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1902354 0.76 ERN1 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619098 0.74 CYP3A4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16618868 0.72 BRD4 (0.71) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18258221 0.69 BRD4 (0.42) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 — — US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 — — US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 — — US 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
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 (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-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.