Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Quinoxaline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Quinoxaline SCHEMBL14719935 | 1.00 | ELANE (0.51) | ELANEHTR2CHTR2BSCN4ACHRNB2 | |
| Dipyridyl SCHEMBL28044625 | 0.83 | PIN1 (0.47) | ELANEHTR2CHTR2BSCN4ACTSC | |
| Biphenyl SCHEMBL2308811 | 0.82 | ELANE (0.47) | ELANEHTR2CHTR2BSCN4ACTSC | |
| Benzimidazole SCHEMBL27553070 | 0.81 | ELANE (0.46) | ELANEHTR2CHTR2BSCN4ACTSC | |
| Benzimidazole SCHEMBL27553069 | 0.81 | ELANE (0.46) | ELANEHTR2CHTR2BSCN4ACTSC | |
| Proline SCHEMBL16394427 | 0.81 | BLM (0.48) | ELANESCN4ACTSCDPP4DPP8 | |
| 2-Picolinic Acid SCHEMBL27705180 | 0.81 | L3MBTL1 (0.57) | ELANEHTR2CHTR2BSCN4ACHRNB2 | |
| Proline SCHEMBL27602067 | 0.81 | SCN4A (0.44) | ELANEHTR2CHTR2BSCN4ACHRNB2 | |
| Proline SCHEMBL28485026 | 0.80 | EHMT2 (0.47) | ELANEHTR2CHTR2BSCN4ACTSC | |
| Quinazoline SCHEMBL16009728 | 0.79 | EGFR (0.51) | ELANEHTR2CHTR2BSCN4ACTSC |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9873707-B2 | Methods and intermediates for preparing macrolactams | MERCK SHARP & DOHME CORP. (US) | 2018-01-23 | — | — | US | disclosed |
| EP-2744336-B1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME (US) | 2017-07-05 | — | — | EP | disclosed |
| US-20160251375-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2016-09-01 | — | — | US | disclosed |
| EP-3057926-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | Merck Sharp & Dohme Corp. (US) | 2016-08-24 | — | — | EP | disclosed |
| US-9242917-B2 | Crystal forms of a HCV protease inhibitor | MERCK SHARP & DOHME LIMITED (GB) | 2016-01-26 | — | — | US | disclosed |
| US-9238604-B2 | Process and intermediates for preparing macrolactams | MERCK SHARP & DOHME CORP. (US) | 2016-01-19 | — | — | US | disclosed |
| WO-2015095430-A1 | METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015057611-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2015-04-23 | — | — | WO | disclosed |
| EP-2764866-A1 | Inhibitors of nedd8-activating enzyme | IP Gesellschaft für Management mbH (DE) | 2014-08-13 | — | — | EP | disclosed |
| US-20140206605-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | MERCK SHARP & DOHME LLC | 2014-07-24 | — | — | US | disclosed |
| US-20140200343-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME LLC | 2014-07-17 | — | — | US | disclosed |
| EP-2744507-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2744336-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| CN-103889439-A | Crystal forms of a HCV protease inhibitor | MERCK SHARP & DOHME | 2014-06-25 | — | — | CN | disclosed |
| CN-103874414-A | Process and intermediates for preparing macrolactams | MERCK SHARP & DOHME | 2014-06-18 | — | — | CN | disclosed |
| WO-2013028470-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013028465-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | 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 (3 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-20140206605-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | SPINT2, CTSC, SERPINB1 | ELANE 199/4885HTR2C 3900/4885HTR2B 3959/4885 |
| US-20140200343-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | EMG1, RCE1, CYP51A1 | ELANE 1896/4885HTR2C 2243/4885HTR2B 2827/4885 |
| US-20160251375-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | EMG1, DPP8, OTUB1 | ELANE 1478/4885HTR2C 2469/4885HTR2B 2960/4885 |
“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.