Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21162500 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL10259134 | 0.77 | CYP1A1 (0.47) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL27340914 | 0.76 | ALOX5 (0.30) | ALOX5PTGS1PTGS2 | |
| SCHEMBL25633237 | 0.75 | MAPT (0.47) | CYP1B1KMT2AMAPTSMN1; SMN2POLB | |
| SCHEMBL11323718 | 0.73 | AMY1A (0.47) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL6546420 | 0.73 | AMY1A (0.47) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL5166135 | 0.73 | MEN1 (0.40) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL5166130 | 0.73 | MEN1 (0.40) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL14303656 | 0.72 | CYP1A1 (0.55) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL2865211 | 0.72 | CYP1A1 (0.55) | CYP1A1CYP1B1MEN1KMT2AMAPT |
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 6 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 |
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 | CYP1A1 2344/4885CYP1B1 2791/4885MEN1 3364/4885 |
| US-20160158217-A1 | Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use | GRIN2A, GRIA2, GRIN2B | CYP1A1 2344/4885CYP1B1 2791/4885MEN1 3364/4885 |
| US-20140309227-A1 | QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRIN2A, GRIA2, GRIN2B | CYP1A1 2387/4885CYP1B1 2825/4885MEN1 3374/4885 |
“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.