Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 5/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 8/20 | 0.55 |
| ▸ | CDK7 | P50613 | 6/20 | 0.55 |
| ▸ | DRD2 | P14416 | 5/20 | 0.40 |
| ▸ | DRD4 | P21917 | 5/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054163 | 0.96 | ITK (0.53) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL5054010 | 0.90 | CHEK1 (0.68) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL5054046 | 0.89 | CHEK1 (0.56) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL5061262 | 0.89 | CHEK1 (0.58) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL27708371 | 0.89 | ITK (0.53) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL5054096 | 0.87 | CHEK1 (0.70) | ITKCHEK1CDK7 | |
| SCHEMBL5058960 | 0.87 | CHEK1 (0.52) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL4161043 | 0.87 | CHEK1 (0.70) | ITKCHEK1CDK7DRD2DRD4 | |
| SCHEMBL5054068 | 0.86 | ITK (0.52) | ITKCHEK1CDK7 | |
| SCHEMBL5054022 | 0.85 | ITK (0.50) | ITKCHEK1CDK7DRD2DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | claimed |
| US-20080004259-A1 | Inhibitors of Checkpoint Kinases | MERCK & CO., INC. | 2008-01-03 | — | — | US | claimed |
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | disclosed |
| US-20080004259-A1 | Inhibitors of Checkpoint Kinases | MERCK & CO., INC. | 2008-01-03 | — | — | 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-20080004259-A1 | Inhibitors of Checkpoint Kinases | CHEK1, CHEK2, BUB1B | ITK 493/4885CHEK1 1/4885CDK7 43/4885 |
“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.