Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ADCY10 | Q96PN6 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL3951667 | 0.85 | ADCY10 (0.63) | CYP2D6TSHRADCY10HSP90AA1HSP90AB1 | |
| SCHEMBL3664825 | 0.76 | KMO (0.57) | TSHRADCY10HSP90AA1HSP90AB1MAPK13 | |
| SCHEMBL7786453 | 0.75 | CYP2D6 (0.56) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL5319656 | 0.75 | KDM4E (0.70) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL13744516 | 0.74 | SMN1; SMN2 (0.66) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL4221151 | 0.74 | HSP90AA1 (0.65) | TSHRADCY10HSP90AA1HSP90AB1HTR2C | |
| Ammonia Solution, Strong SCHEMBL4267670 | 0.74 | KDM4E (0.68) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL11927962 | 0.73 | MTOR (0.65) | CYP2D6TSHRKDM4ETDP1 | |
| SCHEMBL2011534 | 0.73 | CYP2D6 (0.60) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL7792380 | 0.73 | CYP2D6 (0.53) | CYP2D6TSHRSYKKDM4ETDP1 |
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 | CYP2D6 1723/4885TSHR 2843/4885ADCY10 3897/4885 |
“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.