Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | CDK1 | P06493 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 3/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.47 |
| ▸ | PDE8B | O95263 | 14/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL233407 | 1.00 | ADORA2A (0.57) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL9884993 | 1.00 | ADORA2A (0.57) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL19261355 | 0.87 | CDK1 (0.45) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL15354448 | 0.86 | CDK2 (0.63) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL19618132 | 0.84 | CDK1 (0.49) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL12187033 | 0.84 | CDK1 (0.49) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL19760045 | 0.84 | CDK1 (0.49) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL18879205 | 0.84 | CDK1 (0.49) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL27408124 | 0.84 | CDK1 (0.49) | ADORA2AADORA2BADORA1CDK1CDK2 | |
| SCHEMBL179401 | 0.82 | CDK1 (0.47) | ADORA2AADORA2BADORA1CDK1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2240451-B1 | Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors | INTELLIKINE LLC (US) | 2017-08-09 | — | — | EP | disclosed |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. | 2012-12-27 | — | — | US | disclosed |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2012-09-27 | — | — | US | disclosed |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2012-06-14 | — | — | US | disclosed |
| US-8193182-B2 | Substituted isoquinolin-1(2H)-ones, and methods of use thereof | INTELLIKINE, INC. (US) | 2012-06-05 | — | — | US | disclosed |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. | 2012-05-17 | — | — | US | disclosed |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |
| US-20110046165-A1 | CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2011-02-24 | — | — | US | disclosed |
| US-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE | 2009-12-17 | — | — | 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 (7 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-20090312319-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | ADORA2A 1048/4885ADORA2B 1814/4885ADORA1 2085/4885 |
| US-20120059000-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | MAP3K13, AKT3, PIK3CA | ADORA2A 1787/4885ADORA2B 2523/4885ADORA1 2434/4885 |
| US-20120122838-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | ADORA2A 1165/4885ADORA2B 2605/4885ADORA1 2514/4885 |
| US-20120245169-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | ADORA2A 1048/4885ADORA2B 1814/4885ADORA1 2085/4885 |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | ADORA2A 1252/4885ADORA2B 1523/4885ADORA1 1782/4885 |
| US-20110046165-A1 | CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | ADORA2A 1051/4885ADORA2B 1485/4885ADORA1 1525/4885 |
| US-20120329776-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | ADORA2A 2214/4885ADORA2B 3694/4885ADORA1 3739/4885 |
“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.