Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.45 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944846 | 0.83 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 | |
| SCHEMBL2849100 | 0.81 | AGPAT2 (0.64) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 | |
| SCHEMBL2849433 | 0.78 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 | |
| SCHEMBL15757653 | 0.77 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 | |
| SCHEMBL3950560 | 0.77 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4ECDC7DAPK3 | |
| SCHEMBL5066591 | 0.77 | NPC1 (0.62) | HSP90AA1PTGS1PTGS2ESR1ESR2 | |
| SCHEMBL3945098 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4ECDC7CSNK1A1 | |
| SCHEMBL6638090 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1KDM4EESR1ESR2 | |
| SCHEMBL5430298 | 0.75 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 | |
| SCHEMBL4282255 | 0.74 | AGPAT2 (0.62) | HSP90AA1HSP90AB1KDM4EAGPAT2CDC7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| EP-2049497-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2006123165-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-11-23 | — | — | 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-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | HSP90AB1, HSP90AB2P, HSP90B1 | HSP90AA1 4/4885HSP90AB1 1/4885KDM4E 4124/4885 |
“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.