Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ceritinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK known ✓ | Q9UM73 | 20/20 | 0.93 |
| ▸ | NPM1 known ✓ | P06748 | 1/20 | 0.90 |
| ▸ | EML4 known ✓ | Q9HC35 | 1/20 | 0.90 |
| ▸ | INSR | P06213 | 7/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.90 |
| ▸ | PLK4 | O00444 | 1/20 | 0.90 |
| ▸ | BUB1B | O60566 | 1/20 | 0.90 |
| ▸ | JAK2 | O60674 | 1/20 | 0.90 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.90 |
| ▸ | ABL1 | P00519 | 1/20 | 0.90 |
| ▸ | EGFR | P00533 | 1/20 | 0.90 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.90 |
| ▸ | LCK | P06239 | 1/20 | 0.90 |
| ▸ | FES | P07332 | 1/20 | 0.90 |
| ▸ | LYN | P07948 | 1/20 | 0.90 |
| ▸ | RET | P07949 | 1/20 | 0.90 |
| ▸ | IGF1R | P08069 | 1/20 | 0.90 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.90 |
| ▸ | MET | P08581 | 1/20 | 0.90 |
| ▸ | ROS1 | P08922 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| Ceritinib SCHEMBL31319526 | 0.96 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879537 | 0.96 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879549 | 0.96 | ALK (0.85) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29489147 | 0.95 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL1014329 | 0.95 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29349781 | 0.95 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29810752 | 0.94 | ALK (0.98) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL30053881 | 0.94 | ALK (0.98) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL9936675 | 0.94 | ALK (0.98) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879557 | 0.94 | ALK (0.82) | ALKINSRKCNH2PLK4BUB1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160185753-A1 | DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS | SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) | 2016-06-30 | — | — | 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-20160185753-A1 | DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS | DCK, DPYD, PDCD1 | ALK 1358/4885NPM1 1196/4885EML4 1886/4885 |
“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.