Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23718261 | 0.88 | HRH3 (0.37) | TKTCYP2D6 | |
| SCHEMBL23718420 | 0.86 | TDP1 (0.38) | — | |
| SCHEMBL1132721 | 0.82 | — | — | |
| SCHEMBL6119869 | 0.78 | NOS3 (0.33) | TKTCYP17A1 | |
| SCHEMBL14291273 | 0.77 | CYP17A1 (0.31) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL31326674 | 0.77 | AURKA (0.34) | TKTCYP2E1CYP2C8CYP2D6CYP2A6 | |
| SCHEMBL12844554 | 0.77 | TKT (0.44) | TKTCYP2E1CYP2C8CYP2D6CYP2A6 | |
| SCHEMBL23704371 | 0.76 | — | — | |
| SCHEMBL261719 | 0.76 | — | — | |
| SCHEMBL17368836 | 0.75 | TAAR1 (0.46) | CYP2D6CYP2C19 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339882-A1 | SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF | BETTA PHARMACEUTICALS CO., LTD. (CN) | 2023-10-26 | — | — | US | disclosed |
| EP-3661921-B1 | SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME | NODTHERA LTD (GB) | 2023-10-18 | — | — | EP | disclosed |
| EP-3390387-B1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | Bayer Pharma AG (DE) | 2021-11-17 | — | — | EP | disclosed |
| EP-2509955-B1 | PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL | RHIZEN PHARMACEUTICALS S A (CH) | 2018-04-25 | — | — | EP | disclosed |
| EP-2688870-A1 | HETEROCYCLIC AMINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012126922-A1 | HETEROCYCLIC AMINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351826-B2 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1560822-B1 | 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS | NEUROGEN CORP (US) | 2006-08-09 | — | — | EP | disclosed |
| US-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | NEUROGEN CORPORATION (US) | 2006-06-22 | — | — | US | disclosed |
| EP-1594848-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-11-16 | — | — | EP | disclosed |
| US-6951864-B2 | 4-imidazol-1-ylmethyl-pyrimidine derivatives | NEUROGEN CORP. (US) | 2005-10-04 | — | — | US | disclosed |
| EP-1560822-A1 | 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS | Neurogen Corporation (US) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004074259-A1 | ARYL ACID PYRIMIDINYL METHYL AMIDES, PYRIDAZINYL METHYL AMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2004-09-02 | — | — | WO | disclosed |
| US-20040102457-A1 | 4-Imidazol-1-ylmethyl pyrimidine derivatives | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2004-05-27 | — | — | US | disclosed |
| WO-2004041808-A1 | 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS | NEUROGEN CORPORATION (GB) | 2004-05-21 | — | — | WO | disclosed |
| WO-2004041808-A1 | 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS | NEUROGEN CORPORATION (GB) | 2004-05-21 | — | — | 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-20040102457-A1 | 4-Imidazol-1-ylmethyl pyrimidine derivatives | GABRA1, GABRA4, GABRA3 | TKT 3241/4885CYP2E1 977/4885CYP2C8 1038/4885 |
| US-20060135367-A1 | Aryl acid pyrimidinyl methyl amides, pyridazinyl methyl amides and related compounds | GABRA2, GABRA1, GABRA5 | TKT 3993/4885CYP2E1 877/4885CYP2C8 546/4885 |
| US-20230339882-A1 | SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF | PTPRF, PTPRCAP, PTPRJ | TKT 4172/4885CYP2E1 4423/4885CYP2C8 3716/4885 |
“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.