Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 20/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 19/20 | 0.71 |
| ▸ | CCNB2 | O95067 | 18/20 | 0.71 |
| ▸ | CDK1 | P06493 | 18/20 | 0.71 |
| ▸ | CCNB1 | P14635 | 18/20 | 0.71 |
| ▸ | CCNA1 | P78396 | 18/20 | 0.71 |
| ▸ | CCNB3 | Q8WWL7 | 18/20 | 0.71 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CDK7 | P50613 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
| ▸ | CCNH | P51946 | 1/20 | 0.52 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6791834 | 0.89 | CDK2 (0.60) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL31439116 | 0.89 | CDK2 (0.72) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL7113916 | 0.87 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL6789333 | 0.87 | CDK2 (0.74) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL6793728 | 0.86 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL4916505 | 0.85 | CDK2 (0.58) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL12589612 | 0.84 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL29644959 | 0.84 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL6789156 | 0.84 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 | |
| SCHEMBL6904174 | 0.84 | CDK2 (0.75) | CDK2CCNA2CCNB2CDK1CCNB1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040110775-A1 | Cyclin dependent kinase inhibiting purine derivatives | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2004-06-10 | — | — | US | claimed |
| EP-1353922-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | Cancer Research Technology Limited (GB) | 2003-10-22 | — | — | EP | claimed |
| WO-2002059125-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2002-08-01 | — | — | WO | claimed |
| EP-4210063-A1 | METHODS AND SYSTEMS OF CALCULATING DIFFERENCES OF BINDING AFFINITIES BETWEEN CON-GENERIC PAIRS OF LIGANDS | The Trustees of Columbia University in the City of New York (US) | 2023-07-12 | — | — | EP | disclosed |
| US-7970581-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970581-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970580-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970580-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-20100241411-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241411-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241412-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241412-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-7756674-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-13 | — | — | US | disclosed |
| US-7756674-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090037136-A1 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-02-05 | — | — | US | disclosed |
| US-20090037136-A1 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-02-05 | — | — | US | disclosed |
| US-20040110775-A1 | Cyclin dependent kinase inhibiting purine derivatives | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2004-06-10 | — | — | US | disclosed |
| EP-1353922-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | Cancer Research Technology Limited (GB) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002059125-A1 | CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2002-08-01 | — | — | 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-20040110775-A1 | Cyclin dependent kinase inhibiting purine derivatives | CCNA1, CDKL1, CCNK | CDK2 13/4885CCNA2 15/4885CCNB2 44/4885 |
“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.