Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.57 |
| ▸ | AURKA | O14965 | 3/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 3/20 | 0.49 |
| ▸ | MAP2 | P11137 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14237126 | 0.87 | PARP1 (0.62) | PARP1AURKAAURKBGRIN2DGRIN3B | |
| SCHEMBL14237152 | 0.81 | CSF1R (0.48) | PARP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL674512 | 0.81 | GABRP (0.54) | MAP2ALDH1A1GPR3KMT2AHSD17B10 | |
| SCHEMBL6521528 | 0.80 | PARP1 (0.60) | PARP1AURKAAURKBBRD4KDM4E | |
| SCHEMBL6530784 | 0.80 | PARP1 (0.57) | PARP1AURKAAURKBBRD4ROCK1 | |
| SCHEMBL14237089 | 0.78 | KDM4E (0.45) | PARP1AURKAAURKBGRIN2DGRIN3B | |
| SCHEMBL14828969 | 0.77 | KDM4E (0.45) | PARP1AURKAAURKBGRIN2DGRIN3B | |
| SCHEMBL12750388 | 0.77 | PARP1 (0.69) | PARP1AURKAAURKBGRIN2DGRIN3B | |
| SCHEMBL6522107 | 0.76 | AURKA (0.54) | PARP1AURKAAURKBBRD4KDM4E | |
| SCHEMBL6525764 | 0.76 | PARP1 (0.54) | PARP1AURKAAURKBBRD4KDM4E |
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 11 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 |
| EP-2254889-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | 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 | PARP1 1693/4885AURKA 538/4885AURKB 487/4885 |
“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.