Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28376281 | 0.85 | NOS1 (0.33) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL14748198 | 0.82 | CA1 (0.38) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL13575237 | 0.82 | CA1 (0.38) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL19176293 | 0.79 | CTSK (0.36) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL6117658 | 0.79 | AAK1 (0.36) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL12326431 | 0.79 | CTSK (0.36) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL4207944 | 0.76 | EPHX1 (0.35) | CTSKCTSSCA1CA2MEN1 | |
| SCHEMBL17449764 | 0.75 | NOS1 (0.40) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL67350 | 0.75 | NOS1 (0.40) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL5763676 | 0.75 | NOS1 (0.40) | CTSKCTSSNOS1NOS3NOS2 |
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 | CTSK 985/4885CTSS 2629/4885NOS1 1888/4885 |
“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.