Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.54 |
| ▸ | CDC42BPB | Q9Y5S2 | 6/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | ATR | Q13535 | 1/20 | 0.50 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13322709 | 0.93 | ROCK1 (0.55) | ROCK1CDC42BPBROCK2CYP11B1ATR | |
| SCHEMBL13322704 | 0.92 | DRD2 (0.46) | ROCK1CDC42BPBROCK2CYP11B1ATR | |
| SCHEMBL13322708 | 0.91 | ROCK1 (0.43) | ROCK1CDC42BPBROCK2CYP11B1ATR | |
| SCHEMBL13322697 | 0.85 | ROCK1 (0.52) | ROCK1CDC42BPBROCK2ATRCDC42BPA | |
| SCHEMBL13322700 | 0.83 | ALDH1A1 (0.45) | ROCK1CDC42BPBROCK2ATRPIM1 | |
| SCHEMBL13062559 | 0.81 | PIM1 (0.53) | ROCK1CDC42BPBROCK2ATRPIM1 | |
| SCHEMBL13355118 | 0.80 | CYP11B1 (0.54) | ROCK1CDC42BPBROCK2CYP11B1ATR | |
| SCHEMBL14330836 | 0.77 | ROCK1 (0.41) | ROCK1CDC42BPBROCK2CYP11B1ATR | |
| SCHEMBL11888062 | 0.76 | CHRNB2 (0.51) | ROCK1CDC42BPBROCK2PIM1PIM3 | |
| Hydrochloric Acid SCHEMBL31700833 | 0.75 | ROCK1 (0.54) | ROCK1CDC42BPBROCK2CYP11B1ATR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| US-8318735-B2 | 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318735-B2 | 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20100130465-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-05-27 | — | — | US | disclosed |
| US-20100130465-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-05-27 | — | — | US | 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 (2 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-20100130465-A1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MAPK15, CDK15, MAP3K15 | ROCK1 1328/4885CDC42BPB 1072/4885ROCK2 794/4885 |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | ROCK1 958/4885CDC42BPB 2436/4885ROCK2 824/4885 |
“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.