Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 10/20 | 0.48 |
| ▸ | CDK2 | P24941 | 10/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.48 |
| ▸ | WEE1 | P30291 | 2/20 | 0.39 |
| ▸ | PKMYT1 | Q99640 | 2/20 | 0.39 |
| ▸ | GRK2 | P25098 | 1/20 | 0.38 |
| ▸ | TEC | P42680 | 2/20 | 0.37 |
| ▸ | BMX | P51813 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | LYN | P07948 | 1/20 | 0.36 |
| ▸ | HCK | P08631 | 1/20 | 0.36 |
| ▸ | FGR | P09769 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | FRK | P42685 | 1/20 | 0.36 |
| ▸ | BLK | P51451 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228059 | 0.83 | CCNA2 (0.45) | CCNA2CDK2CCNA1WEE1PKMYT1 | |
| Hydrochloric Acid SCHEMBL5228989 | 0.82 | CCNA2 (0.44) | CCNA2CDK2CCNA1WEE1PKMYT1 | |
| SCHEMBL5229094 | 0.82 | CCNA2 (0.46) | CCNA2CDK2CCNA1WEE1PKMYT1 | |
| SCHEMBL5225569 | 0.81 | CCNA2 (0.52) | CCNA2CDK2CCNA1RIPK2 | |
| SCHEMBL5264912 | 0.80 | CCNA2 (0.45) | CCNA2CDK2CCNA1WEE1PKMYT1 | |
| SCHEMBL5229177 | 0.80 | CCNA2 (0.50) | CCNA2CDK2CCNA1WEE1PKMYT1 | |
| SCHEMBL5230469 | 0.78 | CDK2 (0.52) | CCNA2CDK2CCNA1 | |
| SCHEMBL5227808 | 0.78 | CCNA2 (0.43) | CCNA2CDK2CCNA1RIPK2 | |
| SCHEMBL5230705 | 0.78 | CDK2 (0.52) | CCNA2CDK2CCNA1 | |
| SCHEMBL5228781 | 0.78 | CCNA2 (0.54) | CCNA2CDK2CCNA1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1478357-B1 | TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS | PFIZER ITALIA SRL (IT) | 2007-01-31 | — | — | EP | claimed |
| US-20050176796-A1 | Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents | PHARMACIA ITALIA S.P.A. (IT) | 2005-08-11 | — | — | US | claimed |
| 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 |
| WO-2009020887-A1 | METHODS AND SYSTEMS OF CALCULATING DIFFERENCES OF BINDING AFFINITIES BETWEEN CONGENERIC PAIRS OF LIGANDS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-02-12 | — | — | WO | 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 |
| EP-1478357-B1 | TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS | PFIZER ITALIA SRL (IT) | 2007-01-31 | — | — | EP | disclosed |
| US-20050176796-A1 | Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents | PHARMACIA ITALIA S.P.A. (IT) | 2005-08-11 | — | — | US | 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-20050176796-A1 | Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents | TP53, NFATC1, MAP3K15 | CCNA2 1338/4885CDK2 178/4885CCNA1 1187/4885 |
“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.