Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | HEXA | P06865 | 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 | |
|---|---|---|---|---|
| SCHEMBL15318642 | 0.82 | TSHR (0.35) | NOS1NOS2KCNH2CXCR4PARP1 | |
| SCHEMBL21024617 | 0.81 | KCNH2 (0.35) | NOS1NOS2KCNH2GRIN1GRIN2B | |
| SCHEMBL1581851 | 0.81 | KCNH2 (0.36) | NOS1NOS2KCNH2CXCR4PARP1 | |
| SCHEMBL31481285 | 0.81 | KCNH2 (0.36) | NOS1NOS2KCNH2CXCR4PARP1 | |
| SCHEMBL12299266 | 0.81 | CCR1 (0.44) | NOS1NOS2CRHR1GRIN2B | |
| SCHEMBL23343749 | 0.79 | ADORA2A (0.37) | NOS1NOS2KCNH2CXCR4PARP1 | |
| SCHEMBL28518014 | 0.79 | KCNH2 (0.39) | NOS1NOS2KCNH2CXCR4PARP1 | |
| Ammonia Solution, Strong SCHEMBL7989286 | 0.79 | KCNH2 (0.35) | NOS1NOS2KCNH2CXCR4PARP1 | |
| SCHEMBL9876950 | 0.78 | CCR1 (0.41) | NOS1NOS2 | |
| SCHEMBL22895136 | 0.78 | KCNH2 (0.34) | NOS1NOS2KCNH2CXCR4PARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230030414-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2023-02-02 | — | — | US | disclosed |
| EP-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| US-10961232-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-03-30 | — | — | US | disclosed |
| US-10479784-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-11-19 | — | — | US | disclosed |
| US-20190047995-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2019-02-14 | — | — | US | disclosed |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2018-06-21 | — | — | US | disclosed |
| US-9701674-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-11 | — | — | 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 (5 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-10961232-B2 | Substituted pyrazines as ATR kinase inhibitors | ATR, MAP3K5, CHEK1 | NOS1 3094/4885NOS2 3077/4885KCNH2 2661/4885 |
| US-20190047995-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | NOS1 3172/4885NOS2 3048/4885KCNH2 2838/4885 |
| US-20230030414-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | NOS1 3172/4885NOS2 3048/4885KCNH2 2838/4885 |
| US-10479784-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | ATR, CHEK2, CHEK1 | NOS1 2869/4885NOS2 2574/4885KCNH2 2280/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | NOS1 3172/4885NOS2 3048/4885KCNH2 2838/4885 |
“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.