Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.46 |
| ▸ | JAK1 | P23458 | 7/20 | 0.41 |
| ▸ | JAK3 | P52333 | 7/20 | 0.41 |
| ▸ | JAK2 | O60674 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | PDE6A | P16499 | 1/20 | 0.40 |
| ▸ | PDE6G | P18545 | 1/20 | 0.40 |
| ▸ | PDE6B | P35913 | 1/20 | 0.40 |
| ▸ | PDE6C | P51160 | 1/20 | 0.40 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5358385 | 0.84 | CHEK1 (0.48) | BRD4ATAD2JAK1JAK3JAK2 | |
| SCHEMBL5347098 | 0.82 | BRD4 (0.48) | BRD4ATAD2JAK1JAK3JAK2 | |
| SCHEMBL5350710 | 0.74 | BCDIN3D (0.51) | BRD4JAK1JAK2CDK2SYK | |
| SCHEMBL2629270 | 0.72 | CCR4 (0.46) | CYP3A4CCR4 | |
| SCHEMBL5352956 | 0.70 | BRD4 (0.48) | BRD4ATAD2AURKBSYKAXL | |
| SCHEMBL5355325 | 0.69 | IGF1R (0.44) | BRD4ATAD2CDK2AXLFLT3 | |
| Ammonia Solution, Strong SCHEMBL5363886 | 0.68 | IGF1R (0.43) | BRD4ATAD2CDK2AXLFLT3 | |
| SCHEMBL20399573 | 0.68 | CCR4 (0.45) | CYP3A4CCR4 | |
| SCHEMBL5778550 | 0.68 | HRH4 (0.59) | BRD4ATAD2CDK2AXLFLT3 | |
| Hydrochloric Acid SCHEMBL6582848 | 0.67 | BRD4 (0.50) | BRD4ATAD2PRKCQ |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7053089-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2006-05-30 | — | — | US | disclosed |
| EP-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20040209889-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | MERCK SHARP & DOHME CORP. | 2004-10-21 | — | — | US | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK SHARP & DOHME LLC | 2002-11-07 | — | — | US | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | 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 (2 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-20040209889-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | GRIN1, GRIN2B, GRIN2A | BRD4 2371/4885ATAD2 2374/4885JAK1 1955/4885 |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | GRIN1, GRIN2B, GRIN2A | BRD4 2664/4885ATAD2 2622/4885JAK1 1835/4885 |
“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.