Sugi Predict

Sugi Predict / Compounds / SCHEMBL12099072

SCHEMBL12099072

SCHEMBL12099072

COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 1.00
▸ BRD2 P25440 10/20 1.00
▸ BRD3 Q15059 10/20 1.00
▸ CYP3A4 P08684 8/20 1.00
▸ CYP2C9 P11712 8/20 1.00
▸ BRDT Q58F21 2/20 0.82
▸ CACNA1A O00555 1/20 0.82
▸ CHRNA1 P02708 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ CCL2 P13500 1/20 0.82
▸ KCNA5 P22460 1/20 0.82
▸ TACR1 P25103 1/20 0.82
▸ MAOB P27338 1/20 0.82
▸ CYP2C19 P33261 1/20 0.82
▸ AVPR1A P37288 1/20 0.82
▸ PDE4B Q07343 1/20 0.82
▸ KCNH2 Q12809 1/20 0.82
▸ SCN5A Q14524 1/20 0.82
▸ CREBBP Q92793 1/20 0.82
▸ KCNH3 Q9ULD8 1/20 0.82

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
SCHEMBL12099034 1.00 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098946 1.00 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098825 0.93 BRD4 (0.87) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12099191 0.92 BRD4 (0.86) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12099059 0.92 BRD4 (0.86) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098969 0.92 BRD4 (0.85) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12099177 0.92 BRD4 (0.85) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL14756440 0.91 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12099269 0.91 BRD4 (0.83) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098785 0.90 CYP3A4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9

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 8 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
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 — — US 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 1/4885BRD2 5/4885BRD3 2/4885

“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.