Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL14829511 | 0.85 | PRKACA (0.42) | CTSKKDM1APRKACAPRKACGPRKACB | |
| SCHEMBL14830112 | 0.82 | CTSK (0.35) | CTSKPRKACAPRKACGPRKACBMETTL3 | |
| Trifluoroacetic Acid SCHEMBL14837280 | 0.81 | KDM1A (0.47) | CTSKKDM1APRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL14829650 | 0.81 | KCNH2 (0.43) | CTSKKDM1AMETTL3S1PR4S1PR1 | |
| SCHEMBL19580707 | 0.79 | NISCH (0.40) | KDM1APRKACAPRKACGPRKACB | |
| SCHEMBL19580550 | 0.79 | NISCH (0.40) | KDM1APRKACAPRKACGPRKACB | |
| Hydrochloric Acid SCHEMBL29650845 | 0.78 | NISCH (0.39) | KDM1APRKACAPRKACGPRKACB | |
| Hydrochloric Acid SCHEMBL27174165 | 0.78 | NISCH (0.39) | KDM1APRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL14829349 | 0.78 | KDM1A (0.44) | CTSKKDM1APRKACAPRKACGPRKACB | |
| Trifluoroacetic Acid SCHEMBL14830111 | 0.77 | CTSK (0.38) | CTSKKDM1APRKACAPRKACGPRKACB |
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-2751088-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-04-13 | — | — | EP | disclosed |
| EP-2751088-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2014-07-09 | — | — | EP | disclosed |
| US-8765751-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013049719-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | 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 (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-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | ATR, CHEK1, PLK1 | CTSK 2008/4885KDM1A 2426/4885PRKACA 159/4885 |
“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.