Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Defactinib. 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 | |
|---|---|---|---|---|
| ▸ | PTK2 known ✓ | Q05397 | 20/20 | 0.83 |
| ▸ | PTK2B known ✓ | Q14289 | 2/20 | 0.83 |
| ▸ | AURKA | O14965 | 1/20 | 0.83 |
| ▸ | JAK2 | O60674 | 1/20 | 0.83 |
| ▸ | STK16 | O75716 | 1/20 | 0.83 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.83 |
| ▸ | LATS1 | O95835 | 1/20 | 0.83 |
| ▸ | PAK4 | O96013 | 1/20 | 0.83 |
| ▸ | ABL1 | P00519 | 1/20 | 0.83 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.83 |
| ▸ | CDK1 | P06493 | 1/20 | 0.83 |
| ▸ | LYN | P07948 | 1/20 | 0.83 |
| ▸ | RET | P07949 | 1/20 | 0.83 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.83 |
| ▸ | FER | P16591 | 1/20 | 0.83 |
| ▸ | FLT1 | P17948 | 1/20 | 0.83 |
| ▸ | ERCC2 | P18074 | 1/20 | 0.83 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.83 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.83 |
| ▸ | DRD1 | P21728 | 1/20 | 0.83 |
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 | |
|---|---|---|---|---|
| Defactinib SCHEMBL23086796 | 0.96 | PTK2 (0.89) | PTK2PTK2BAURKAJAK2STK16 | |
| Defactinib SCHEMBL23086969 | 0.95 | PTK2 (0.83) | PTK2PTK2BAURKAJAK2STK16 | |
| Defactinib SCHEMBL28419282 | 0.92 | PTK2 (0.89) | PTK2PTK2BAURKAJAK2STK16 | |
| Defactinib SCHEMBL1627234 | 0.91 | PTK2 (1.00) | PTK2PTK2BAURKAJAK2STK16 | |
| Defactinib SCHEMBL1626017 | 0.90 | PTK2 (0.98) | PTK2PTK2BAURKAJAK2STK16 | |
| Defactinib SCHEMBL23087026 | 0.89 | PTK2 (0.72) | PTK2PTK2BAURKAJAK2STK16 | |
| SCHEMBL28423323 | 0.86 | PTK2 (0.89) | PTK2PTK2BAURKAJAK2STK16 | |
| SCHEMBL31653624 | 0.86 | PTK2 (0.86) | PTK2PTK2BAURKAJAK2STK16 | |
| SCHEMBL26126341 | 0.86 | PTK2 (0.86) | PTK2PTK2BAURKAJAK2STK16 | |
| SCHEMBL1627066 | 0.85 | PTK2 (1.00) | PTK2PTK2BAURKAJAK2STK16 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11891379-B2 | Deuterated Defactinib compound and use thereof | HINOVA PHARMACEUTICALS INC. (CN) | 2024-02-06 | — | — | US | disclosed |
| US-20210238166-A1 | DEUTERATED DEFACTINIB COMPOUND AND USE THEREOF | HINOVA PHARMACEUTICALS INC. (CN) | 2021-08-05 | — | — | 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 (2 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-20210238166-A1 | DEUTERATED DEFACTINIB COMPOUND AND USE THEREOF | KRAS, GDI2, TPD52L2 | PTK2 4166/4885PTK2B 4155/4885AURKA 3476/4885 |
| US-11891379-B2 | Deuterated Defactinib compound and use thereof | ARHGDIB, KRAS, CTTN | PTK2 5/4885PTK2B 219/4885AURKA 2877/4885 |
“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.