Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (Rs)-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 | |
|---|---|---|---|---|
| (S)-Roscovitine SCHEMBL29415376 | 1.00 | CDK1 (1.00) | CDK1CDK5CDK2CCNE1CDK7 | |
| (S)-Roscovitine SCHEMBL2907488 | 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 288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240252688-A1 | COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION | HDT BIO CORP. | 2024-08-01 | — | — | US | claimed |
| WO-2023056202-A2 | COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION | HDT BIO CORP. (US) | 2023-04-06 | — | — | WO | claimed |
| US-20220323376-A1 | METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS | NEW YORK UNIVERSITY | 2022-10-13 | — | — | US | claimed |
| CN-107904201-B | Differentiation of human embryonic stem cells into the pancreatic endocrine lineage | 詹森生物科技公司 | 2021-11-16 | — | — | CN | claimed |
| US-10866241-B2 | Method for the prognosis and treatment of cancer metastasis | INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) | 2020-12-15 | — | — | US | claimed |
| WO-2020223609-A1 | METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS | NEW YORK UNIVERSITY (US) | 2020-11-05 | — | — | WO | claimed |
| CN-105143445-B | Maturation of hepatocyte-like cells derived from human pluripotent stem cells | 宝生物欧洲公司 | 2020-07-07 | — | — | CN | claimed |
| US-10463649-B2 | Inhibitors of Mc1-1 as drugs to overcome resistance to BRAF inhibitors and MEK inhibitors | TEXAS TECH UNIVERSITY SYSTEM (US) | 2019-11-05 | — | — | US | claimed |
| US-20180161313-A1 | Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors | TEXAS TECH UNIVERSITY SYSTEM | 2018-06-14 | — | — | US | claimed |
| EP-2346988-B1 | DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE | JANSSEN BIOTECH INC (US) | 2017-05-31 | — | — | EP | claimed |
| US-20110046164-A1 | Purine Derivatives for Treatment of Cystic Diseases | GENZYME CORPORATION | 2011-02-24 | — | — | 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 |
| US-20100008927-A1 | Use of (S)-Roscovitine for Prevention and/or Treatment of Neurological Diseases | NEUROKIN INMED (FR) | 2010-01-14 | — | — | US | claimed |
| US-20070275986-A1 | Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2007-11-29 | — | — | US | claimed |
| US-20030186999-A1 | Purine derivatives having, in particular, antiproliferative properties, and their biological uses | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) | 2003-10-02 | — | — | US | 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-20020065293-A1 | Cyclin dependent kinase inhibitor | INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC | 2002-05-30 | — | — | US | claimed |
| US-20020049218-A1 | Purine derivatives having, in particular, antiproliferative properties, and their biological uses | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) | 2002-04-25 | — | — | US | claimed |
| US-6316456-B1 | Purine derivatives having, in particular, antiproliferative properties, and their biological uses | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2001-11-13 | — | — | US | claimed |
| US-6221873-B1 | CONTACTING SAID CELL WITH A COMPOUND 2-(HYDROXYALKYLAMINO)-6-BENZYLAMINO-9-ISOPROPYLPURINE; CDK4 CDK7 ENZYMES ARE INHIBITED IN SAID CELL. | INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2001-04-24 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 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-20100008927-A1 | Use of (S)-Roscovitine for Prevention and/or Treatment of Neurological Diseases | TPMT, BDNF, BHMT | CDK1 137/4885CDK5 7/4885CDK2 75/4885 |
| US-20110046164-A1 | Purine Derivatives for Treatment of Cystic Diseases | TYMP, PKD1, CFTR | CDK1 20/4885CDK5 54/4885CDK2 52/4885 |
| US-20180161313-A1 | Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors | MCL1, BRAF, RAF1 | CDK1 188/4885CDK5 194/4885CDK2 316/4885 |
| US-20070275986-A1 | Use of purine derivatives for the production of medicaments for the treatment of mucoviscidosis and diseases related to protein addressing errors in cells | TPMT, PNP, HRH2 | CDK1 1538/4885CDK5 1193/4885CDK2 815/4885 |
| US-20220323376-A1 | METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS | MCL1, BAX, CASP3 | CDK1 1141/4885CDK5 110/4885CDK2 894/4885 |
| US-20030186999-A1 | Purine derivatives having, in particular, antiproliferative properties, and their biological uses | PNP, TYMP, NUDT1 | CDK1 501/4885CDK5 517/4885CDK2 359/4885 |
| US-10463649-B2 | Inhibitors of Mc1-1 as drugs to overcome resistance to BRAF inhibitors and MEK inhibitors | MCL1, MAPK1, BRAF | CDK1 67/4885CDK5 226/4885CDK2 300/4885 |
| US-10866241-B2 | Method for the prognosis and treatment of cancer metastasis | MAFG, BRCA1, BCOR | CDK1 2928/4885CDK5 1586/4885CDK2 4303/4885 |
| US-20020049218-A1 | Purine derivatives having, in particular, antiproliferative properties, and their biological uses | PNP, TYMP, NUDT1 | CDK1 501/4885CDK5 517/4885CDK2 359/4885 |
“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.