Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.39 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | CPT1A | P50416 | 3/20 | 0.32 |
| ▸ | CPT2 | P23786 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794471 | 0.85 | ATR (0.34) | CDC7DBF4ATRADORA2AADORA1 | |
| SCHEMBL3794474 | 0.84 | ATR (0.33) | CDC7DBF4ATRADORA2AADORA1 | |
| SCHEMBL953631 | 0.84 | MAPK14 (0.40) | CPT1AMAPK14 | |
| SCHEMBL953190 | 0.83 | CDC7 (0.35) | CDC7DBF4ATRCPT1ACPT2 | |
| SCHEMBL952063 | 0.82 | EGFR (0.44) | MAPK14 | |
| SCHEMBL954205 | 0.80 | PTGS1 (0.36) | ATRADORA2AADORA1 | |
| SCHEMBL954308 | 0.76 | ADORA2A (0.36) | MAPK14ADORA2AADORA1 | |
| SCHEMBL953238 | 0.75 | CYP4F2 (0.31) | — | |
| SCHEMBL952687 | 0.74 | AKT1 (0.35) | TEK | |
| SCHEMBL953894 | 0.73 | ADORA2A (0.34) | ATRMAPK14ADORA2AADORA1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | 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-20110003807-A1 | Thiazole derivatives | MTOR, RICTOR, AKT2 | CDC7 601/4885DBF4 3288/4885TEK 1749/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | CDC7 1063/4885DBF4 3779/4885TEK 815/4885 |
“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.