Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15331330 | 0.89 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2ROCK2ROCK1RAB9A | |
| SCHEMBL7682529 | 0.86 | ALDH1A1 (0.61) | ALDH1A1ROCK2ROCK1RAB9AKDM4E | |
| SCHEMBL4529316 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2ROCK2ROCK1MAOB | |
| SCHEMBL3292757 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2ROCK2ROCK1MAOB | |
| SCHEMBL29669441 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2ROCK2ROCK1MAOB | |
| SCHEMBL2562580 | 0.83 | ALDH1A1 (0.61) | ALDH1A1ROCK2ROCK1RAB9AKDM4E | |
| SCHEMBL17967806 | 0.83 | BCHE (0.48) | ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1 | |
| SCHEMBL15329886 | 0.83 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2ROCK2ROCK1RAB9A | |
| SCHEMBL14455038 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1 | |
| SCHEMBL2649087 | 0.81 | MEN1 (0.65) | ALDH1A1SMN1; SMN2ROCK2ROCK1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989459-B2 | Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one | PHARMACOPEIA, LLC (US) | 2011-08-02 | — | — | US | disclosed |
| US-20110046131-A1 | PURINES AS PKC-THETA INHIBITORS | N.V. Organon and Pharmacopeia, LLC | 2011-02-24 | — | — | US | disclosed |
| US-20080085909-A1 | Purinones and 1H-imidazopyridinones as PKC-theta inhibitors | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2008-04-10 | — | — | 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-20080085909-A1 | Purinones and 1H-imidazopyridinones as PKC-theta inhibitors | PRKCE, PRKCH, PRKCQ | ALDH1A1 2893/4885SMN1; SMN2 4308/4885ROCK2 102/4885 |
| US-20110046131-A1 | PURINES AS PKC-THETA INHIBITORS | PRKCQ, PRKCE, PRKCH | ALDH1A1 4413/4885SMN1; SMN2 4594/4885ROCK2 112/4885 |
“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.