Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETD7 | Q8WTS6 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964387 | 1.00 | SETD7 (0.40) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL28710535 | 0.85 | DRD2 (0.40) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL29914717 | 0.85 | SETD7 (0.42) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL1920854 | 0.85 | SETD7 (0.42) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL15312664 | 0.85 | SETD7 (0.42) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL15217028 | 0.84 | DRD2 (0.40) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL470964 | 0.84 | DRD2 (0.40) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL28694797 | 0.82 | DRD2 (0.44) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL13895338 | 0.81 | SETD7 (0.41) | SETD7MAP4K4HDAC1GPR119NR1H2 | |
| SCHEMBL19504105 | 0.81 | SETD7 (0.41) | SETD7MAP4K4HDAC1GPR119NR1H2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1989200-B1 | [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | LILLY CO ELI (US) | 2009-07-29 | — | — | EP | disclosed |
| US-7547691-B2 | [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases | ELI LILLY AND COMPANY (US) | 2009-06-16 | — | — | US | disclosed |
| US-20080306082-A1 | [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases | ELI LILLY AND COMPANY | 2008-12-11 | — | — | 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 (1 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-20080306082-A1 | [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases | NFKBIA, IKBKB, IKBKG | SETD7 2803/4885MAP4K4 262/4885HDAC1 1093/4885 |
“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.