Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 8/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL474906 | 0.87 | KCNH2 (0.53) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL4776313 | 0.87 | KCNH2 (0.53) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL876909 | 0.87 | NR1I2 (0.63) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL30065291 | 0.86 | KCNH2 (0.53) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL895603 | 0.86 | KCNH2 (0.47) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL703081 | 0.77 | KCNH2 (0.58) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL4203790 | 0.76 | CYP3A4 (0.62) | KCNH2NR1I2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4203784 | 0.76 | CYP3A4 (0.62) | KCNH2NR1I2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10283615 | 0.76 | NR1I2 (0.43) | KCNH2NR1I2CYP3A4SCN5ASCN9A | |
| SCHEMBL14088372 | 0.76 | KCNH2 (0.64) | KCNH2NR1I2CYP3A4SCN5ASCN9A |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2953462-B1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2020-04-08 | — | — | EP | disclosed |
| US-20150361101-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2015-12-17 | — | — | US | disclosed |
| US-20150246917-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2015-09-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| EP-2540349-A1 | Pharmaceutical compositions comprising a macrocyclic quinoxaline compound which is an HCV NS3 protease inhibitor | Merck Sharp & Dohme Corp. (US) | 2013-01-02 | — | — | EP | disclosed |
| US-20120328569-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. | 2012-12-27 | — | — | US | disclosed |
| EP-2310095-B1 | MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2012-08-29 | — | — | EP | disclosed |
| US-20120083483-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP (NJ) | 2012-04-05 | — | — | US | disclosed |
| US-8148349-B2 | Nucleoside cyclic phosphoramidates for the treatment of RNA-dependent RNA viral infection | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2012-04-03 | — | — | US | disclosed |
| US-20120010164-A1 | ANTIVIRAL AGENTS | SURNMA VINCENZO (IT) | 2012-01-12 | — | — | US | disclosed |
| WO-2011106992-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |
| US-7973040-B2 | Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-07-05 | — | — | US | disclosed |
| EP-2324043-A1 | NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2011-05-25 | — | — | EP | disclosed |
| US-20110046161-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2011-02-24 | — | — | US | disclosed |
| US-20110028494-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| US-7879815-B2 | inhibitors of viral polymerases such as 5'-O-[[4-chloro-5-methyl-2-(1-methylethyl)phenoxy][[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]phosphinyl]-2'-C-methylcytidine, used for the treatment of hepatitis C virus infection in mammals | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| US-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| US-20100234316-A1 | Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection | MSD ITALIA S.R.L. (IT) | 2010-09-16 | — | — | US | disclosed |
| US-7795247-B2 | Tetracyclic indole derivatives as antiviral agents | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2010-09-14 | — | — | US | disclosed |
| US-20080255038-A1 | 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin | SCYNEXIS, INC. | 2008-10-16 | — | — | 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 (10 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-20110046161-A1 | HCV NS3 PROTEASE INHIBITORS | HAVCR2, GTF3C3, CTSC | KCNH2 4405/4885NR1I2 613/4885CYP3A4 154/4885 |
| US-20120083483-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | KCNH2 4621/4885NR1I2 643/4885CYP3A4 1646/4885 |
| US-20120328569-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | HCCS, EIF2AK2, RNGTT | KCNH2 4619/4885NR1I2 684/4885CYP3A4 977/4885 |
| US-20080255038-A1 | 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin | NSUN2, TPMT, EIF5B | KCNH2 4505/4885NR1I2 242/4885CYP3A4 227/4885 |
| US-20150361101-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | HCCS, HAVCR2, CYP7A1 | KCNH2 4240/4885NR1I2 544/4885CYP3A4 540/4885 |
| US-20150246917-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | KCNH2 4621/4885NR1I2 643/4885CYP3A4 1646/4885 |
| US-20100234316-A1 | Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection | NSUN2, NSUN3, RNGTT | KCNH2 4233/4885NR1I2 1112/4885CYP3A4 1129/4885 |
| US-20110028494-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | KCNH2 4405/4885NR1I2 613/4885CYP3A4 154/4885 |
| US-20120010164-A1 | ANTIVIRAL AGENTS | EIF2AK2, HAVCR2, MAVS | KCNH2 4538/4885NR1I2 794/4885CYP3A4 465/4885 |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | HAVCR2, GTF3C3, CTSC | KCNH2 4405/4885NR1I2 613/4885CYP3A4 154/4885 |
“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.