Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.41 |
| ▸ | WNT3A | P56704 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2376978 | 0.80 | CES2 (0.53) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL2376977 | 0.77 | CES2 (0.53) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL13872879 | 0.75 | HPGD (0.52) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL31636008 | 0.74 | CES2 (0.65) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL7309424 | 0.74 | CES2 (0.65) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL29466669 | 0.71 | CES2 (0.53) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL18360283 | 0.71 | KDM2B (0.62) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL12247723 | 0.71 | L3MBTL1 (0.50) | CES2CES1PARP1L3MBTL1ALDH1A1 | |
| SCHEMBL6208933 | 0.69 | CES2 (0.57) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL30009669 | 0.69 | CES2 (0.57) | CES2CES1PARP1L3MBTL1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |
| US-8022205-B2 | Pyrimidine derivatives as PI3K inhibitor and use thereof | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20100069629-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-03-18 | — | — | US | disclosed |
| EP-2050749-A1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-04-22 | — | — | EP | 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-20100069629-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF | PIK3CA, AKT3, AKT1 | CES2 4145/4885CES1 1519/4885PARP1 255/4885 |
“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.