Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 12/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.45 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 4/20 | 0.39 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL5054033 | 0.96 | ITK (0.56) | ITKCHEK1CDK7KDM1ABTK | |
| SCHEMBL5051869 | 0.86 | ITK (0.53) | ITKCHEK1CDK7BTK | |
| SCHEMBL4155531 | 0.84 | ITK (0.51) | ITKCHEK1CDK7BTK | |
| SCHEMBL5053994 | 0.82 | CHEK1 (0.57) | ITKCHEK1CDK7 | |
| SCHEMBL5054005 | 0.81 | CHEK1 (0.62) | ITKCHEK1CDK7 | |
| SCHEMBL5054027 | 0.81 | ITK (0.60) | ITKCHEK1CDK7 | |
| SCHEMBL5051808 | 0.81 | ITK (0.52) | ITKCHEK1CDK7BTK | |
| SCHEMBL27688765 | 0.81 | ITK (0.41) | ITKBTK | |
| SCHEMBL5054000 | 0.80 | CHEK1 (0.46) | ITKCHEK1CDK7BTK | |
| SCHEMBL27688764 | 0.80 | ITK (0.44) | ITKBTK |
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-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 |
| EP-1851203-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2007-11-07 | — | — | EP | claimed |
| WO-2006086255-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-08-17 | — | — | WO | 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 |
| EP-1851203-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006086255-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-08-17 | — | — | 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-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.