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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBLB | Q13191 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333882 | 0.87 | PIM1 (0.46) | CBLBPIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL6094662 | 0.75 | PIM1 (0.41) | CBLBPIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL17517176 | 0.75 | IDH1 (0.46) | CBLBPIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL18368359 | 0.73 | DPP4 (0.43) | LMNAKMT2ATSHRCYP3A4 | |
| SCHEMBL5839859 | 0.73 | POLB (0.50) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL29777577 | 0.73 | POLB (0.50) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL19370098 | 0.73 | CRBN (0.48) | THRBPARP1LMNAKMT2AMEN1 | |
| SCHEMBL2730891 | 0.72 | KDM4E (0.61) | CBLBPIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL10086511 | 0.72 | NPC1 (0.66) | CBLBGRM1LMNAKMT2AMEN1 | |
| SCHEMBL31184839 | 0.71 | IDH1 (0.39) | CBLBGRM1PARP1LMNAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096624-B2 | Amino pyrimidine anticancer compounds | OSI Pharmaceuticals, LLC (US) | 2015-08-04 | — | — | US | disclosed |
| US-20130231306-A1 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | OSI Pharmaceuticals, LLC (US) | 2013-09-05 | — | — | US | disclosed |
| US-8399433-B2 | Amino pyrimidine anticancer compounds | OSI Pharmaceuticals, LLC (US) | 2013-03-19 | — | — | US | disclosed |
| US-20110136764-A1 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | OSI PHARMACEUTICALS, INC. (US) | 2011-06-09 | — | — | 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 (2 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-20130231306-A1 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | DPYD, PTK2, TYMS | CBLB 4041/4885PIM1 329/4885CSNK1A1 397/4885 |
| US-20110136764-A1 | AMINO PYRIMIDINE ANTICANCER COMPOUNDS | DPYD, PTK2, TYMS | CBLB 4041/4885PIM1 329/4885CSNK1A1 397/4885 |
“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.