Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.52 |
| ▸ | CDK7 | P50613 | 3/20 | 0.52 |
| ▸ | ITK | Q08881 | 6/20 | 0.51 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL5055574 | 0.87 | ITK (0.56) | CHEK1CDK7ITKDRD2DRD4 | |
| SCHEMBL144879 | 0.86 | CHEK1 (0.50) | CHEK1CDK7ITKNPSR1 | |
| SCHEMBL5054096 | 0.86 | CHEK1 (0.70) | CHEK1CDK7ITK | |
| SCHEMBL27708371 | 0.86 | ITK (0.53) | CHEK1CDK7ITKDRD2DRD4 | |
| SCHEMBL5054010 | 0.85 | CHEK1 (0.68) | CHEK1CDK7ITKDRD2DRD4 | |
| SCHEMBL5054046 | 0.84 | CHEK1 (0.56) | CHEK1CDK7ITKDRD2DRD4 | |
| SCHEMBL5061262 | 0.84 | CHEK1 (0.58) | CHEK1CDK7ITKCCNT1CDK9 | |
| SCHEMBL5054163 | 0.84 | ITK (0.53) | CHEK1CDK7ITKCCNT1CDK9 | |
| SCHEMBL5054022 | 0.83 | ITK (0.50) | CHEK1CDK7ITKCCNT1CDK9 | |
| SCHEMBL5054068 | 0.83 | ITK (0.52) | CHEK1CDK7ITK |
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 | CHEK1 1/4885CDK7 43/4885ITK 493/4885 |
“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.