Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR7 | P34969 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30271240 | 1.00 | CHEK1 (0.42) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL3352822 | 0.90 | HTR1A (0.41) | SCDGPR119KDM5ANR3C1ALOX15 | |
| SCHEMBL3358945 | 0.85 | ALOX15 (0.52) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL14923489 | 0.84 | CHEK1 (0.47) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL29042132 | 0.84 | HTR7 (0.41) | HTR2AHTR7KCNH2DRD2SCD | |
| SCHEMBL21671869 | 0.83 | NR3C1 (0.41) | MAPK14HTR2AHTR7KCNH2DRD2 | |
| SCHEMBL3352334 | 0.82 | HTR2A (0.45) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL18965035 | 0.81 | NR3C1 (0.47) | HTR2AHTR7KCNH2DRD2SCD | |
| SCHEMBL29200978 | 0.80 | KDM4E (0.49) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL22743605 | 0.80 | HTR2A (0.41) | MAPK14HTR2AHTR7KCNH2DRD2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108623615-B | Macrocyclic derivatives of pyrazolo [3,4-d ] pyrimidin-3-one, pharmaceutical compositions and uses thereof | 上海迪诺医药科技有限公司 | 2022-12-13 | — | — | CN | disclosed |
| EP-3604306-B1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI DE NOVO PHARMATECH CO LTD (CN) | 2022-10-26 | — | — | EP | disclosed |
| US-11248006-B2 | Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2022-02-15 | — | — | US | disclosed |
| US-20200377520-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-12-03 | — | — | US | disclosed |
| EP-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |
| CN-108623615-A | The macrocyclic derivatives, its pharmaceutical composition and application of pyrazoles [3,4-d] pyrimidine -3- ketone | 上海迪诺医药科技有限公司 | 2018-10-09 | — | — | CN | disclosed |
| EP-2141163-A1 | Substituted thiazolidinones, their production and utilisation as medicine | Bayer Schering Pharma AG (DE) | 2010-01-06 | — | — | EP | disclosed |
| EP-2141163-A1 | Substituted thiazolidinones, their production and utilisation as medicine | Bayer Schering Pharma AG (DE) | 2010-01-06 | — | — | 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 (2 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-20200377520-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | WEE1, WEE2, PDPK1 | CHEK1 27/4885AURKA 1732/4885DAPK3 184/4885 |
| US-11248006-B2 | Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof | WEE1, WEE2, PDPK1 | CHEK1 27/4885AURKA 1732/4885DAPK3 184/4885 |
“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.