Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 4/20 | 0.40 |
| ▸ | JAK1 | P23458 | 4/20 | 0.40 |
| ▸ | TYK2 | P29597 | 4/20 | 0.40 |
| ▸ | JAK3 | P52333 | 4/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 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 | |
|---|---|---|---|---|
| SCHEMBL3966800 | 0.90 | JAK2 (0.41) | JAK2JAK1TYK2JAK3PLK1 | |
| SCHEMBL3965410 | 0.88 | BTK (0.41) | JAK2JAK1TYK2JAK3PLK1 | |
| SCHEMBL3970415 | 0.88 | PDK1 (0.38) | SMN1; SMN2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL3965483 | 0.87 | RAB9A (0.42) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3961533 | 0.80 | CA2 (0.37) | KDM4EPDK1PDK2PDK3PDK4 | |
| SCHEMBL3968816 | 0.78 | HDAC6 (0.43) | PLK1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL3968825 | 0.77 | BTK (0.39) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL3961637 | 0.76 | BTK (0.39) | SMN1; SMN2KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL3964096 | 0.76 | P2RX7 (0.44) | SMN1; SMN2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL3964461 | 0.76 | ICAM1 (0.46) | — |
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 | JAK2 67/4885JAK1 37/4885TYK2 57/4885 |
“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.