Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.48 |
| ▸ | CDK9 | P50750 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 3/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3454371 | 0.84 | AURKA (0.60) | CDK9AURKAPARP1BRD4ROCK2 | |
| SCHEMBL6519127 | 0.84 | CDC7 (0.51) | CCNT1CDK9AURKAPARP1ROCK2 | |
| SCHEMBL6523494 | 0.84 | AURKA (0.50) | CCNT1CDK9AURKAPARP1IP6K1 | |
| SCHEMBL6517978 | 0.84 | CDC7 (0.52) | AURKAPARP1ROCK2CYP3A4CYP2C19 | |
| SCHEMBL6518254 | 0.83 | AURKA (0.52) | AURKAPARP1BRD4 | |
| SCHEMBL12846396 | 0.83 | PARP1 (0.49) | CCNT1CDK9AURKAPARP1BRD4 | |
| SCHEMBL6516089 | 0.82 | AURKA (0.54) | CCNT1CDK9AURKAPARP1CYP3A4 | |
| SCHEMBL6517544 | 0.81 | FGFR1 (0.51) | CCNT1CDK9AURKAPARP1ROCK2 | |
| SCHEMBL3454238 | 0.81 | ROCK2 (0.54) | AURKAPARP1BRD4ROCK2ROCK1 | |
| SCHEMBL6522266 | 0.81 | AURKA (0.55) | CCNT1CDK9AURKAPARP1IP6K1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735584-B2 | Protein kinase inhibitors and use thereof | MERCK PATENT GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| US-8735584-B2 | Protein kinase inhibitors and use thereof | MERCK PATENT GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| US-8735584-B2 | Protein kinase inhibitors and use thereof | MERCK PATENT GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| EP-2254889-B1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2012-12-19 | — | — | EP | disclosed |
| EP-2254889-B1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2012-12-19 | — | — | EP | disclosed |
| US-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | US | disclosed |
| US-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | US | disclosed |
| US-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | US | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | 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-20110053906-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MAP4K2, MAP3K20, MAP4K1 | LRRK2 411/4885CCNT1 1341/4885CDK9 124/4885 |
“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.