Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.51 |
| ▸ | GSK3B | P49841 | 3/20 | 0.50 |
| ▸ | AURKA | O14965 | 2/20 | 0.50 |
| ▸ | GSK3A | P49840 | 2/20 | 0.50 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.48 |
| ▸ | EGFR | P00533 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245581 | 0.98 | ITK (0.52) | ITKGSK3BAURKAGSK3APTK2 | |
| SCHEMBL16245562 | 0.95 | GSK3B (0.47) | ITKGSK3BAURKAGSK3APTK2 | |
| SCHEMBL16245582 | 0.93 | GSK3B (0.47) | ITKGSK3BAURKAGSK3APTK2 | |
| SCHEMBL16245576 | 0.89 | EGFR (0.46) | ITKGSK3BAURKAGSK3APTK2 | |
| SCHEMBL16246173 | 0.87 | ITK (0.54) | ITKAURKAEGFRMAPTCA12 | |
| SCHEMBL16245569 | 0.85 | ITK (0.54) | ITKAURKAEGFRMAPTCA12 | |
| SCHEMBL5413297 | 0.84 | GSK3B (0.53) | ITKGSK3BAURKAGSK3APTK2 | |
| SCHEMBL16245565 | 0.82 | ITK (0.49) | ITKAURKAEGFRMAPTCA12 | |
| SCHEMBL16245532 | 0.80 | PIN1 (0.53) | GSK3BAURKAGSK3APTK2EGFR | |
| SCHEMBL16245548 | 0.80 | ITK (0.49) | ITKAURKAEGFRMAPTCA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9861635-B2 | Macrocycles as kinase inhibitors | MERCK PATENT GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| US-9861635-B2 | Macrocycles as kinase inhibitors | MERCK PATENT GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| EP-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |
| EP-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |
| US-20160166574-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |
| US-20160166574-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |
| US-20160166574-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |
| EP-2994471-A1 | MACROCYCLES AS KINASE INHIBITORS | Merck Patent GmbH (DE) | 2016-03-16 | — | — | EP | disclosed |
| WO-2014180524-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-13 | — | — | WO | disclosed |
| WO-2014180524-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-13 | — | — | 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-20160166574-A1 | MACROCYCLES AS KINASE INHIBITORS | EIF2AK4, CDK2, CDK1 | ITK 1468/4885GSK3B 482/4885AURKA 288/4885 |
“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.