Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | SI | P14410 | 4/20 | 0.49 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.49 |
| ▸ | CBFB | Q13951 | 5/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1170768 | 0.85 | ADORA1 (0.61) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL27961298 | 0.77 | ADORA1 (0.57) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL1298102 | 0.74 | DHODH (0.65) | PARP1HPGDKDM4E | |
| SCHEMBL19643484 | 0.74 | PKN1 (0.61) | ADORA1ADORA3MGAMGAASI | |
| SCHEMBL27787407 | 0.74 | METAP1 (0.66) | — | |
| SCHEMBL66295 | 0.74 | PSMB8 (0.59) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL20671430 | 0.73 | METAP1 (0.60) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL31061052 | 0.72 | ADORA3 (1.00) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL4715207 | 0.71 | GAA (0.54) | ADORA1ADORA3PSMB8MGAMGAA | |
| SCHEMBL215756 | 0.71 | NUDT1 (0.70) | ADORA1ADORA3PSMB8MGAMGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379528-B1 | PROTEIN KINASE INHIBITORS | LILLY CO ELI (US) | 2013-09-18 | — | — | EP | disclosed |
| EP-2379528-A1 | PROTEIN KINASE INHIBITORS | Eli Lilly and Company (US) | 2011-10-26 | — | — | EP | disclosed |
| US-7855211-B2 | such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases | ELI LILLY AND COMPANY (US) | 2010-12-21 | — | — | US | disclosed |
| WO-2010075074-A1 | PROTEIN KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2010-07-01 | — | — | WO | disclosed |
| US-20100160340-A1 | such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases | ELI LILLY AND COMPANY | 2010-06-24 | — | — | 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 (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-20100160340-A1 | such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases | MKI67, PKD1, CCNI | ADORA1 3805/4885ADORA3 4114/4885PSMB8 4392/4885 |
“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.