Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL756229 | 0.76 | CYP1A2 (0.55) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL31261751 | 0.68 | CYP1A2 (1.00) | CYP1A2ALDH1A1NQO2CYP2A6KDM4E | |
| SCHEMBL951793 | 0.68 | CYP1A2 (1.00) | CYP1A2ALDH1A1NQO2CYP2A6KDM4E | |
| SCHEMBL28051566 | 0.68 | CYP1A2 (0.67) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL30081469 | 0.68 | CYP1A2 (1.00) | CYP1A2ALDH1A1NQO2CYP2A6KDM4E | |
| SCHEMBL29660577 | 0.67 | CYP1A2 (0.65) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL9755328 | 0.67 | CYP1A2 (0.65) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL5542405 | 0.65 | CYP1A2 (0.61) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL18574395 | 0.65 | CYP1A2 (0.61) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A | |
| SCHEMBL5542408 | 0.65 | CYP1A2 (0.61) | CYP1A2ALDH1A1NQO2CYP2A6KMT2A |
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.
| 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-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-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-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 |
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-20160159744-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | GRIN2A, GRIA2, GRIN2B | CYP1A2 858/4885ALDH1A1 4241/4885NQO2 219/4885 |
| US-20160158217-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | GRIN2A, GRIA2, GRIN2B | CYP1A2 858/4885ALDH1A1 4241/4885NQO2 219/4885 |
| US-20140309227-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRIN2A, GRIA2, GRIN2B | CYP1A2 873/4885ALDH1A1 4247/4885NQO2 215/4885 |
“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.