Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10042012 | 0.91 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL18786399 | 0.88 | ALDH1A1 (0.33) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL19068868 | 0.81 | KMT2A (0.38) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL20433749 | 0.81 | KMT2A (0.38) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL18727479 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL6042938 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL7177989 | 0.78 | DPP4 (0.39) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL13259740 | 0.78 | ALDH1A1 (0.37) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL3101172 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2AMAPTHPGD | |
| SCHEMBL24740634 | 0.78 | — | — |
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-20230030414-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2023-02-02 | — | — | US | 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 | ALDH1A1 3775/4885LMNA 2128/4885KMT2A 1482/4885 |
| US-20190047995-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ALDH1A1 3961/4885LMNA 2021/4885KMT2A 1708/4885 |
| US-20230030414-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ALDH1A1 3961/4885LMNA 2021/4885KMT2A 1708/4885 |
| US-10479784-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | ATR, CHEK2, CHEK1 | ALDH1A1 3704/4885LMNA 1829/4885KMT2A 894/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ALDH1A1 3961/4885LMNA 2021/4885KMT2A 1708/4885 |
“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.