Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (S)-Roscovitine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 known ✓ | P06493 | 14/20 | 1.00 |
| ▸ | CDK5 known ✓ | Q00535 | 10/20 | 1.00 |
| ▸ | CDK2 known ✓ | P24941 | 9/20 | 1.00 |
| ▸ | CDK7 known ✓ | P50613 | 6/20 | 1.00 |
| ▸ | CDK9 known ✓ | P50750 | 5/20 | 1.00 |
| ▸ | CCNE1 | P24864 | 7/20 | 1.00 |
| ▸ | CCNB1 | P14635 | 6/20 | 1.00 |
| ▸ | CCNK | O75909 | 6/20 | 1.00 |
| ▸ | CDK12 | Q9NYV4 | 6/20 | 1.00 |
| ▸ | CCNA2 | P20248 | 4/20 | 1.00 |
| ▸ | CDK4 | P11802 | 4/20 | 1.00 |
| ▸ | CCND1 | P24385 | 4/20 | 1.00 |
| ▸ | CCNH | P51946 | 4/20 | 1.00 |
| ▸ | DYRK1A | Q13627 | 3/20 | 1.00 |
| ▸ | CCNA1 | P78396 | 3/20 | 1.00 |
| ▸ | CCNB2 | O95067 | 3/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 3/20 | 1.00 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 1.00 |
| ▸ | CSNK1D | P48730 | 2/20 | 1.00 |
| ▸ | CLK2 | P49760 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| (Rs)-Roscovitine SCHEMBL172593 | 1.00 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| (S)-Roscovitine SCHEMBL29415376 | 1.00 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| Seliciclib SCHEMBL94728 | 1.00 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| (Rs)-Roscovitine SCHEMBL15163619 | 1.00 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL17628573 | 0.94 | CDK2 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL13001898 | 0.94 | CDK2 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL14403894 | 0.94 | CDK1 (0.88) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL1213597 | 0.92 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL2098199 | 0.92 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| SCHEMBL23198590 | 0.92 | CDK1 (0.85) | CDK1CDK5CDK2CCNE1CDK7 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1802310-B1 | USE OF PURINE DERIVATIVES FOR THE PRODUCTION OF MEDICAMENTS FOR THE TREATMENT OF MUCOVISCIDOSIS AND DISEASES RELATED TO PROTEIN ADDRESSING ERRORS IN CELLS | MANROS THERAPEUTICS (FR) | 2014-12-17 | — | — | EP | claimed |
| US-8318707-B2 | Administration of (S)-roscovitine for protection against and/or treatment of neurological diseases | NEUROKIN (FR) | 2012-11-27 | — | — | US | claimed |
| EP-1998778-B1 | USE OF (S)-ROSCOVITINE FOR THE PREVENTION AND/OR TREATMENT OF NEUROLOGICAL DISORDERS | NEUROKIN (FR) | 2010-09-01 | — | — | EP | claimed |
| EP-0874847-B1 | NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF | CENTRE NAT RECH SCIENT (FR) | 2003-03-19 | — | — | EP | claimed |
| US-20180179594-A1 | MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF | PARKINSON'S INSTITUTE | 2018-06-28 | — | — | US | disclosed |
| US-8318707-B2 | Administration of (S)-roscovitine for protection against and/or treatment of neurological diseases | NEUROKIN (FR) | 2012-11-27 | — | — | US | disclosed |
| US-8318707-B2 | Administration of (S)-roscovitine for protection against and/or treatment of neurological diseases | NEUROKIN (FR) | 2012-11-27 | — | — | US | disclosed |
| US-8318707-B2 | Administration of (S)-roscovitine for protection against and/or treatment of neurological diseases | NEUROKIN (FR) | 2012-11-27 | — | — | US | disclosed |
| US-8216571-B2 | Fully human anti-VEGF antibodies and methods of using | SCHERING CORPORATION (US) | 2012-07-10 | — | — | US | disclosed |
| US-8216571-B2 | Fully human anti-VEGF antibodies and methods of using | SCHERING CORPORATION (US) | 2012-07-10 | — | — | US | disclosed |
| US-20110097340-A1 | FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING | XOMA TECHNOLOGY LTD. | 2011-04-28 | — | — | US | disclosed |
| US-20110097340-A1 | FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING | XOMA TECHNOLOGY LTD. | 2011-04-28 | — | — | US | disclosed |
| WO-2009055343-A2 | FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING | SCHERING CORPORATION (US) | 2009-04-30 | — | — | WO | disclosed |
| EP-1998778-A1 | USE OF (S)-ROSCOVITINE FOR MANUFACTURING A MEDICINE | Neurokin (FR) | 2008-12-10 | — | — | EP | disclosed |
| EP-1998778-A1 | USE OF (S)-ROSCOVITINE FOR MANUFACTURING A MEDICINE | Neurokin (FR) | 2008-12-10 | — | — | EP | disclosed |
| US-7288547-B2 | CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents | SCHERING AG (DE) | 2007-10-30 | — | — | US | disclosed |
| US-7288547-B2 | CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents | SCHERING AG (DE) | 2007-10-30 | — | — | US | disclosed |
| WO-2007118984-A1 | USE OF (S)-ROSCOVITINE FOR MANUFACTURING A MEDICINE | NEUROKIN (FR) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007118984-A1 | USE OF (S)-ROSCOVITINE FOR MANUFACTURING A MEDICINE | NEUROKIN (FR) | 2007-10-25 | — | — | WO | disclosed |
| EP-0874847-B1 | NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF | CENTRE NAT RECH SCIENT (FR) | 2003-03-19 | — | — | EP | 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-20110097340-A1 | FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING | VEGFA, KDR, FLT4 | CDK1 2769/4885CDK5 2434/4885CDK2 1726/4885 |
“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.