Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.74 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13137869 | 0.85 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL16420497 | 0.82 | ATR (0.58) | ATRPOLBNPSR1MEN1KMT2A | |
| SCHEMBL16489018 | 0.80 | ATR (0.55) | ATRTSHR | |
| SCHEMBL16420507 | 0.80 | ATR (0.71) | ATRPOLBNPSR1MEN1KMT2A | |
| SCHEMBL16420468 | 0.80 | ATR (0.49) | ATRNPSR1TSHRGSK3BPRKDC | |
| SCHEMBL16420490 | 0.76 | GSK3B (0.53) | ATRPOLBSMN1; SMN2GSK3BPRKDC | |
| SCHEMBL16420503 | 0.75 | ATR (0.58) | ATRMAPT | |
| SCHEMBL16420510 | 0.74 | ATR (0.63) | ATRMEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL16420629 | 0.74 | CA2 (0.50) | ATRPOLBSMN1; SMN2GSK3BPRKDC | |
| SCHEMBL16420502 | 0.73 | ATR (0.68) | ATRGSK3BPRKDCCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-10-27 | — | — | US | disclosed |
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-02-19 | — | — | 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 (3 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-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885HSD11B1 3682/4885POLB 788/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885HSD11B1 3682/4885POLB 788/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885HSD11B1 3682/4885POLB 788/4885 |
“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.