Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962466 | 0.90 | HDAC1 (0.48) | HDAC1PIK3CAPIK3CBPIK3CGPI4KB | |
| SCHEMBL3964580 | 0.86 | HDAC6 (0.44) | HDAC1PIK3CAPI4KBKDRNPC1 | |
| SCHEMBL3968825 | 0.77 | BTK (0.39) | HDAC1NPC1RAB9AKMT2AKDM4E | |
| SCHEMBL3965558 | 0.76 | PKM (0.49) | SMN1; SMN2KMT2AHTTHPGD | |
| SCHEMBL3970210 | 0.76 | NPC1 (0.41) | HDAC1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL3964101 | 0.76 | FGFR1 (0.46) | — | |
| SCHEMBL3968816 | 0.76 | HDAC6 (0.43) | HDAC1NPC1RAB9ASMN1; SMN2HDAC6 | |
| SCHEMBL5385077 | 0.76 | MAP2K4 (0.47) | KDRNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL3963487 | 0.75 | RPS6KA5 (0.32) | KDR | |
| SCHEMBL25224406 | 0.74 | HDAC1 (0.64) | HDAC1PIK3CAPIK3CBPIK3CGPI4KB |
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 | HDAC1 1093/4885PIK3CA 170/4885PIK3CB 48/4885 |
“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.