Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 18/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 5/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3970415 | 0.83 | PDK1 (0.38) | PDK1PDK2PDK4PDK3HSP90AA1 | |
| SCHEMBL3961593 | 0.80 | JAK2 (0.40) | PDK1PDK2PDK4PDK3KDM4E | |
| SCHEMBL3963838 | 0.80 | PIK3CD (0.41) | CA2 | |
| SCHEMBL3965483 | 0.76 | RAB9A (0.42) | PDK1PDK2PDK4PDK3KDM4E | |
| SCHEMBL22529467 | 0.73 | KMT2A (0.44) | PDK1PDK2PDK4HSP90AA1KDM4E | |
| SCHEMBL3970954 | 0.73 | CYP2A6 (0.39) | PDK1PDK2PDK4HSP90AA1KDM4E | |
| SCHEMBL3969215 | 0.71 | ESR1 (0.38) | — | |
| SCHEMBL3967577 | 0.71 | KDM4E (0.40) | PDK1PDK2PDK4HSP90AA1KDM4E | |
| SCHEMBL2870401 | 0.70 | BTK (0.33) | CA2PDK1PDK2PDK4PDK3 | |
| SCHEMBL3970210 | 0.70 | NPC1 (0.41) | PDK1KDM4E |
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 | CA2 4423/4885PDK1 862/4885PDK2 764/4885 |
“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.