Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 16/20 | 0.50 |
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20442852 | 0.88 | CA1 (0.56) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL23016026 | 0.88 | CA1 (0.56) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL12195048 | 0.86 | CA1 (0.50) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL1429083 | 0.86 | CA1 (0.50) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL1134574 | 0.86 | CA1 (0.50) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL13934324 | 0.86 | CA1 (0.67) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL13934941 | 0.86 | CA1 (0.67) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL21729511 | 0.85 | CA1 (0.56) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL26405353 | 0.85 | CA1 (0.56) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL16300682 | 0.85 | CA1 (0.49) | CA1CA2CA7CTSKCTSS |
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-7312225-B2 | Macrocyclic pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-12-25 | — | — | US | disclosed |
| EP-1530574-B1 | MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS | SCHERING AG (DE) | 2006-11-22 | — | — | EP | disclosed |
| EP-1530574-A1 | MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-05-18 | — | — | EP | disclosed |
| US-20040209895-A1 | inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases | SCHERING AG (DE) | 2004-10-21 | — | — | US | disclosed |
| WO-2004026881-A1 | MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-04-01 | — | — | 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-20040209895-A1 | inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases | CCNK, CDK2, CDK1 | CA1 4423/4885CA2 3724/4885CA7 3677/4885 |
“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.