Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alisertib. 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 | |
|---|---|---|---|---|
| ▸ | AURKA known ✓ | O14965 | 7/20 | 0.86 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.86 |
| ▸ | KDR | P35968 | 4/20 | 0.86 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.86 |
| ▸ | PLK4 | O00444 | 2/20 | 0.86 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.86 |
| ▸ | ABL1 | P00519 | 2/20 | 0.86 |
| ▸ | EGFR | P00533 | 2/20 | 0.86 |
| ▸ | LCK | P06239 | 2/20 | 0.86 |
| ▸ | HCK | P08631 | 2/20 | 0.86 |
| ▸ | ROS1 | P08922 | 2/20 | 0.86 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.86 |
| ▸ | SRC | P12931 | 2/20 | 0.86 |
| ▸ | FER | P16591 | 2/20 | 0.86 |
| ▸ | FLT1 | P17948 | 2/20 | 0.86 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.86 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.86 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.86 |
| ▸ | GRK5 | P34947 | 2/20 | 0.86 |
| ▸ | ABL2 | P42684 | 2/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Alisertib SCHEMBL30405892 | 1.00 | AURKA (0.86) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL854552 | 1.00 | AURKA (0.86) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL31486942 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL14125415 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL30405856 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| SCHEMBL12454978 | 0.93 | AURKA (0.89) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL855823 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29354333 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29720486 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29437869 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025245045-A1 | METHODS OF TREATING LUNG CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2025-11-27 | — | — | WO | disclosed |
| WO-2025075211-A1 | ALISERTIB AND PACLITAXEL FOR TREATING SMALL CELL LUNG CANCER | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2025-04-10 | — | — | WO | disclosed |
| US-20240400567-A1 | AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION | MILLENNIUM PHARM INC (US) | 2024-12-05 | — | — | US | disclosed |
| WO-2022096679-A1 | PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER | EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) | 2022-05-12 | — | — | WO | 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-20240400567-A1 | AURORA KINASE INHIBITORS FOR INHIBITING MITOTIC PROGRESSION | AURKC, AURKA, AURKB | AURKA 2/4885AURKB 3/4885KDR 2988/4885 |
“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.