Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3965506 | 0.99 | BRD4 (0.39) | BRD4ITGB3ITGA2BPCSK9CCNT1 | |
| Hydrochloric Acid SCHEMBL3966573 | 0.94 | BRD4 (0.38) | BRD4ITGB3ITGA2BPCSK9CCNT1 | |
| SCHEMBL4073297 | 0.89 | USP30 (0.39) | BRD4PCSK9CCNT1CDK2CDK9 | |
| SCHEMBL3961531 | 0.89 | BRD4 (0.38) | BRD4ITGB3ITGA2BPCSK9MAPK14 | |
| SCHEMBL3968770 | 0.86 | ACP1 (0.37) | BRD4PCSK9CCNT1CCNKCCNE1 | |
| SCHEMBL3964511 | 0.85 | LRRK2 (0.46) | FLT3TYRO3 | |
| SCHEMBL3966820 | 0.84 | DYRK2 (0.41) | ADORA2BMERTK | |
| Hydrochloric Acid SCHEMBL3962057 | 0.84 | HRH4 (0.41) | BRD4PCSK9CCNT1CDK2CDK9 | |
| Hydrochloric Acid SCHEMBL3964563 | 0.84 | ACP1 (0.37) | BRD4ITGB3ITGA2BPCSK9MAPK14 | |
| Hydrochloric Acid SCHEMBL3967074 | 0.83 | DYRK2 (0.37) | MAPK14LCKKITTYRO3MERTK |
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 | BRD4 28/4885ITGB3 4047/4885ITGA2B 2422/4885 |
“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.