Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14359627 | 0.88 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1NUDT1AURKAPDPK1 | |
| SCHEMBL3946470 | 0.83 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 | |
| SCHEMBL3950787 | 0.83 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1NUDT1AURKAPDPK1 | |
| SCHEMBL20619965 | 0.82 | NUDT1 (0.68) | HSP90AA1HSP90AB1NUDT1AURKAPDPK1 | |
| SCHEMBL24331435 | 0.81 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1NUDT1CYP1A2CYP2C9 | |
| SCHEMBL22501986 | 0.81 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL3952648 | 0.80 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1KDM4E | |
| Hydrochloric Acid SCHEMBL22502036 | 0.79 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL5748648 | 0.79 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1NUDT1AURKAPDPK1 | |
| SCHEMBL24309274 | 0.78 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1NUDT1CYP1A2CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020206080-A1 | CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-10-08 | — | — | WO | 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 |
| 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 1/4885NUDT1 189/4885 |
“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.