Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bilr 355. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 8/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bilr 355 SCHEMBL29399723 | 1.00 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| Bilr 355 SCHEMBL29369593 | 1.00 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| Bilr 355 SCHEMBL5247366 | 0.99 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL14383887 | 0.94 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL5744506 | 0.94 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL5211840 | 0.93 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP1A2BRD4 | |
| SCHEMBL5745210 | 0.89 | CYP2C9 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5768478 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5743230 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 | |
| SCHEMBL5747266 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2GPR84 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7309700-B2 | Crystalline forms of 5,11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2′,3′-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-18 | — | — | US | claimed |
| US-7282583-B2 | Process for making 5,11-Dihydro-11-ethyl-5-methyl-8{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-di pyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-16 | — | — | US | claimed |
| WO-2007067844-A1 | PROCESS FOR MAKING 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DI PYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-14 | — | — | WO | claimed |
| US-20070129542-A1 | Process for making 5,11-Dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-di pyrido[3,2-b:2',3'-e][1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-07 | — | — | US | claimed |
| EP-1740586-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | Boehringer Ingelheim International GmbH (DE) | 2007-01-10 | — | — | EP | claimed |
| WO-2005097796-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2005-10-20 | — | — | WO | claimed |
| US-20050222134-A1 | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | US | claimed |
| EP-2846788-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | Akron Molecules AG (AT) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013167743-A1 | USE OF COMPOUNDS FOR THE TREATMENT OF PAIN | AKRON MOLECULES GMBH (AT) | 2013-11-14 | — | — | WO | disclosed |
| US-20080139495-A1 | Pharmaceutical Composition of Antiviral Agents | KLAES HEINZ-GERD | 2008-06-12 | — | — | US | disclosed |
| US-20080096832-A1 | Method for Improving the Pharmacokinetics of an NNRTI | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-04-24 | — | — | US | disclosed |
| US-20080096832-A1 | Method for Improving the Pharmacokinetics of an NNRTI | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-04-24 | — | — | US | disclosed |
| US-7309700-B2 | Crystalline forms of 5,11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2′,3′-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-18 | — | — | US | disclosed |
| WO-2005097796-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2005-10-20 | — | — | WO | disclosed |
| WO-2005097796-A2 | CRYSTALLINE FORMS OF 5,11-DIHYDRO-11-ETHYL-5-METHYL-8-{2-{(1-OXIDO-4-QUINOLINYL)OXY}ETHYL}-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2005-10-20 | — | — | WO | disclosed |
| US-20050222134-A1 | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | US | disclosed |
| US-20050222134-A1 | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | US | disclosed |
| US-20050222134-A1 | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | US | disclosed |
| US-20040152625-A1 | Administering 5,11-Dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one and one or more inhibitors of CYP 450 for therapy of HIV | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-08-05 | — | — | US | disclosed |
| US-20020028807-A1 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-03-07 | — | — | US | 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 (6 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070129542-A1 | Process for making 5,11-Dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-di pyrido[3,2-b:2',3'-e][1,4]diazepin-6-one | CYP4B1, PPOX, CYP1B1 | CYP3A4 23/4885CYP2C9 89/4885CYP2C19 78/4885 |
| US-20080096832-A1 | Method for Improving the Pharmacokinetics of an NNRTI | CYP3A7, CYP3A43, CYP3A5 | CYP3A4 4/4885CYP2C9 28/4885CYP2C19 26/4885 |
| US-20040152625-A1 | Administering 5,11-Dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one and one or more inhibitors of CYP 450 for therapy of HIV | CYP4B1, CYP2D6, CYP2E1 | CYP3A4 4/4885CYP2C9 33/4885CYP2C19 25/4885 |
| US-20080139495-A1 | Pharmaceutical Composition of Antiviral Agents | TYMP, IMPDH1, MTAP | CYP3A4 1135/4885CYP2C9 924/4885CYP2C19 633/4885 |
| US-20020028807-A1 | Non-nucleoside reverse transcriptase inhibitors | REV1, POLR2H, POLR2E | CYP3A4 560/4885CYP2C9 1933/4885CYP2C19 1639/4885 |
| US-20050222134-A1 | Crystalline forms of 5, 11-dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one | CYP4B1, AQP4, DDO | CYP3A4 58/4885CYP2C9 322/4885CYP2C19 433/4885 |
“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.