Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.43 |
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 20/20 | 0.44 |
| ▸ | PRKDC | P78527 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.43 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.43 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28397148 | 0.99 | ATR (0.44) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL16420563 | 0.95 | ATR (0.47) | ATRPRKDCATMGSK3BJAK2 | |
| Isobutane SCHEMBL3056646 | 0.88 | ATR (0.42) | ATRPRKDCGSK3B | |
| Bicarbonate SCHEMBL28402619 | 0.87 | ATR (0.42) | ATRPRKDCGSK3B | |
| SCHEMBL16420672 | 0.86 | ATR (0.49) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL16420566 | 0.84 | ATR (0.49) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL16420705 | 0.83 | ATR (0.58) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL16420526 | 0.83 | ATR (0.50) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL13345790 | 0.83 | ATR (0.51) | ATRPRKDCATMGSK3BJAK2 | |
| SCHEMBL3056913 | 0.82 | ATR (0.60) | ATRPRKDCATMGSK3BJAK2 |
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 18 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 |
| EP-3354650-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2022-02-16 | — | — | 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 |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2018-06-21 | — | — | US | disclosed |
| EP-2376485-B1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2017-12-06 | — | — | EP | 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 |
| US-20150031661-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-29 | — | — | US | disclosed |
| US-8841308-B2 | Pyrazin-2-amines useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |
| EP-2376485-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-19 | — | — | EP | disclosed |
| US-20100222318-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-02 | — | — | US | disclosed |
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | 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 (9 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 | GSK3B 309/4885GSK3A 325/4885ATR 1/4885 |
| US-20100222318-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-20150031661-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-20190047995-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-20230030414-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-10479784-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | ATR, CHEK2, CHEK1 | GSK3B 313/4885GSK3A 311/4885ATR 1/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | GSK3B 216/4885GSK3A 206/4885ATR 1/4885 |
“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.