Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | USP8 | P40818 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9015179 | 0.75 | KDM4E (0.45) | CYP2A6CYP1A2KDM4ELMNAALDH1A1 | |
| SCHEMBL2954425 | 0.67 | TSHR (0.37) | CYP2A6ALDH1A1 | |
| SCHEMBL2972610 | 0.67 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1TDP1TP53 | |
| SCHEMBL8886457 | 0.66 | HDAC8 (0.36) | CYP2A6ALDH1A1 | |
| SCHEMBL31703320 | 0.66 | HDAC8 (0.36) | CYP2A6ALDH1A1 | |
| SCHEMBL14344241 | 0.65 | KMT2A (0.46) | CYP2A6CYP1A2KDM4ELMNAALDH1A1 | |
| SCHEMBL758788 | 0.64 | CYP2A6 (0.45) | CYP2A6CYP1A2KDM4ELMNAALDH1A1 | |
| SCHEMBL8270010 | 0.63 | HDAC8 (0.42) | CYP2A6ALDH1A1 | |
| SCHEMBL9724136 | 0.62 | CYP2A6 (0.48) | CYP2A6CYP1A2KDM4ELMNAALDH1A1 | |
| Water SCHEMBL27539226 | 0.61 | CYP1A2 (0.93) | CYP2A6CYP1A2KDM4ELMNAALDH1A1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663506-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663506-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-05-30 | — | — | US | disclosed |
| US-9636337-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-05-02 | — | — | US | disclosed |
| US-9636337-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-05-02 | — | — | US | disclosed |
| US-20160158217-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160158217-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160159744-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20160159744-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | US | disclosed |
| US-9278960-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2016-03-08 | — | — | US | disclosed |
| US-9278960-B2 | Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2016-03-08 | — | — | US | disclosed |
| US-20140309227-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2014-10-16 | — | — | US | disclosed |
| US-20140309227-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2014-10-16 | — | — | US | disclosed |
| EP-2775841-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013066736-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2013066736-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |
| EP-2118093-B1 | [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK CANADA INC (CA) | 2012-03-21 | — | — | EP | disclosed |
| US-7960409-B2 | e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK SHARP & DOHME CORP. (US) | 2011-06-14 | — | — | US | disclosed |
| WO-2008095292-A1 | [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA LTD. (CA) | 2008-08-14 | — | — | WO | disclosed |
| US-20080188521-A1 | e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK CANADA INC. (CA) | 2008-08-07 | — | — | 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 (4 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-20080188521-A1 | e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | ALOX5, ALOX15, ALOX15B | CYP2A6 809/4885CYP1A2 394/4885KDM4E 830/4885 |
| US-20160159744-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | GRIN2A, GRIA2, GRIN2B | CYP2A6 2350/4885CYP1A2 858/4885KDM4E 1820/4885 |
| US-20160158217-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | GRIN2A, GRIA2, GRIN2B | CYP2A6 2350/4885CYP1A2 858/4885KDM4E 1820/4885 |
| US-20140309227-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRIN2A, GRIA2, GRIN2B | CYP2A6 2382/4885CYP1A2 873/4885KDM4E 1842/4885 |
“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.