Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 10/20 | 0.66 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.53 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.53 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1669187 | 0.97 | ERBB2 (0.64) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL1669380 | 0.88 | HSP90AA1 (0.69) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL1669699 | 0.87 | ERBB2 (0.69) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL18203383 | 0.87 | ERBB2 (0.69) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL18203343 | 0.87 | HSP90AB1 (0.51) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL11903640 | 0.85 | HSP90AB1 (0.54) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL11908978 | 0.85 | HSP90AB1 (0.67) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL1669202 | 0.85 | HSP90AA1 (0.69) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL1669151 | 0.84 | ERBB2 (0.64) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 | |
| SCHEMBL11908887 | 0.84 | ERBB2 (0.64) | ERBB2HSP90AB1HSP90AA1TRAP1HSP90B1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | disclosed |
| US-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2019-01-08 | — | — | US | disclosed |
| EP-3091019-A2 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2016-11-09 | — | — | EP | disclosed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | disclosed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| EP-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | 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 (3 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-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | XDH, HSP90B1, HSP90AA1 | ERBB2 4122/4885HSP90AB1 4/4885HSP90AA1 3/4885 |
| US-20120208806-A1 | Hsp90 Inhibitors | HSP90B1, HSP90AB1, HSP90AB2P | ERBB2 2315/4885HSP90AB1 2/4885HSP90AA1 4/4885 |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | XDH, HSP90B1, HSP90AA1 | ERBB2 4122/4885HSP90AB1 4/4885HSP90AA1 3/4885 |
“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.