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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 3/20 | 0.46 |
| ▸ | GSK3B known ✓ | P49841 | 3/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.66 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.50 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 4/20 | 0.46 |
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 SCHEMBL16540812 | 0.95 | SCN9A (0.72) | SCN9AKCNH2MAPK8SCN5ACDK2 | |
| Isobutane SCHEMBL17938201 | 0.88 | SCN9A (0.55) | SCN9AKCNH2MAPK8SCN5AKCNH3 | |
| Isobutane SCHEMBL17938214 | 0.83 | KCNH2 (0.49) | SCN9AKCNH2MAPK8SCN5ACDK2 | |
| Isobutane SCHEMBL15741370 | 0.77 | ABL1 (0.50) | SCN9AKCNH2SCN5AKCNH3CDK2 | |
| SCHEMBL29939485 | 0.76 | GSK3A (0.55) | SCN9AKCNH2MAPK8CDK2SYK | |
| SCHEMBL84402 | 0.75 | KCNH2 (0.54) | SCN9AKCNH2MAPK8KCNH3CDK2 | |
| SCHEMBL91479 | 0.73 | CDK2 (0.60) | SCN9AKCNH2MAPK8KCNH3CDK2 | |
| SCHEMBL27819569 | 0.73 | SCN9A (0.67) | SCN9AKCNH2SCN5ACDK2GSK3B | |
| SCHEMBL3300933 | 0.72 | AURKA (0.80) | MAPK8AURKA | |
| Hydrochloric Acid SCHEMBL28306332 | 0.72 | SCN9A (0.71) | SCN9AKCNH2SCN5ACDK2AURKA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220064150-A1 | SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS | PTC THERAPEUTICS INC (US) | 2022-03-03 | — | — | US | disclosed |
| US-11180483-B2 | Substituted reverse pyrimidine Bmi-1 inhibitors | PTC THERAPEUTICS, INC. (US) | 2021-11-23 | — | — | US | disclosed |
| EP-2922828-B1 | 4,6-DIAMINO-PYRIMIDINE DERIVATIVES AS BMI-1 INHIBITORS FOR TREATING CANCER | PTC THERAPEUTICS INC (US) | 2020-07-08 | — | — | EP | disclosed |
| EP-3039015-B1 | SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS | PTC THERAPEUTICS INC (US) | 2019-10-30 | — | — | EP | disclosed |
| US-10428050-B2 | Substituted reverse pyrimidine Bmi-1 inhibitors | PTC THERAPEUTICS, INC. (US) | 2019-10-01 | — | — | US | disclosed |
| US-10370371-B2 | Substituted pyrimidine Bmi-1 inhibitors | PTC THERAPEUTICS, INC. (US) | 2019-08-06 | — | — | US | disclosed |
| US-20160214978-A1 | SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS | PTC THERAPEUTICS, INC. | 2016-07-28 | — | — | US | disclosed |
| US-20150315182-A1 | SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS | PTC THERAPEUTICS, INC. | 2015-11-05 | — | — | 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 (6 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-11180483-B2 | Substituted reverse pyrimidine Bmi-1 inhibitors | BMI1, BRPF3, BAZ2A | GSK3A 4049/4885GSK3B 3739/4885SCN9A 3963/4885 |
| US-10370371-B2 | Substituted pyrimidine Bmi-1 inhibitors | BMI1, BAZ2A, BRPF3 | GSK3A 3756/4885GSK3B 3412/4885SCN9A 4065/4885 |
| US-20150315182-A1 | SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS | BMI1, BRPF3, BAZ2A | GSK3A 4049/4885GSK3B 3739/4885SCN9A 3963/4885 |
| US-10428050-B2 | Substituted reverse pyrimidine Bmi-1 inhibitors | BMI1, BRPF3, BAZ2A | GSK3A 4049/4885GSK3B 3739/4885SCN9A 3963/4885 |
| US-20160214978-A1 | SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS | BMI1, BAZ2A, BRPF3 | GSK3A 3756/4885GSK3B 3412/4885SCN9A 4065/4885 |
| US-20220064150-A1 | SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS | BMI1, BRPF3, BAZ2A | GSK3A 4049/4885GSK3B 3739/4885SCN9A 3963/4885 |
“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.