Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ac-430. 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 | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 3/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.98 |
| ▸ | JAK1 | P23458 | 3/20 | 0.98 |
| ▸ | TYK2 | P29597 | 3/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.98 |
| ▸ | JAK3 | P52333 | 3/20 | 0.98 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.98 |
| ▸ | AURKA | O14965 | 10/20 | 0.67 |
| ▸ | AURKB | Q96GD4 | 7/20 | 0.67 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.60 |
| ▸ | SRC | P12931 | 5/20 | 0.59 |
| ▸ | GSK3B | P49841 | 5/20 | 0.59 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.59 |
| ▸ | GSK3A | P49840 | 1/20 | 0.59 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.54 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Ac-430 SCHEMBL173361 | 1.00 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL186941 | 1.00 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29522921 | 1.00 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL173827 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL256569 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL164912 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL175041 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29522676 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29578828 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL174751 | 0.98 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611795-B1 | AN OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP (US) | 2016-05-04 | — | — | EP | disclosed |
| EP-2611796-B1 | AN OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP (US) | 2016-04-20 | — | — | EP | disclosed |
| US-9308207-B2 | JAK kinase modulating compounds and methods of use thereof | AMBIT BIOSCIENCES CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-9295672-B2 | Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150353528-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2015-12-10 | — | — | US | disclosed |
| US-20150150874-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. (US) | 2015-06-04 | — | — | US | disclosed |
| US-20150141443-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION | 2015-05-21 | — | — | US | disclosed |
| US-8952020-B2 | Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof | AMBIT BIOSCIENCES CORP. (US) | 2015-02-10 | — | — | US | disclosed |
| US-8927711-B2 | JAK kinase modulating compounds and methods of use thereof | AMBIT BIOSCIENCES CORP. (US) | 2015-01-06 | — | — | US | disclosed |
| US-8912324-B2 | Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2014-12-16 | — | — | US | disclosed |
| US-8703943-B2 | Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2014-04-22 | — | — | US | disclosed |
| EP-2401267-B1 | JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS | AMBIT BIOSCIENCES CORP (US) | 2014-01-15 | — | — | EP | disclosed |
| US-20130245014-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8349851-B2 | JAK kinase modulating compounds and methods of use thereof | AMBIT BIOSCIENCES CORP. (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120053193-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. (US) | 2012-03-01 | — | — | US | disclosed |
| US-20120053176-A1 | ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. (US) | 2012-03-01 | — | — | US | disclosed |
| US-20120053194-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. (US) | 2012-03-01 | — | — | US | disclosed |
| EP-2401267-A1 | JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2012-01-04 | — | — | EP | disclosed |
| US-20100317659-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORP. | 2010-12-16 | — | — | US | disclosed |
| WO-2010099379-A1 | JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2010-09-02 | — | — | 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 (8 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-20150150874-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | JAK2, JAK3, JAK1 | JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885 |
| US-20150353528-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | JAK1, JAK3, JAK2 | JAK2 3/4885CYP3A4 1754/4885CYP2C8 1558/4885 |
| US-20130245014-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | JAK2, JAK3, JAK1 | JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885 |
| US-20150141443-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | JAK1, JAK3, JAK2 | JAK2 3/4885CYP3A4 2419/4885CYP2C8 1320/4885 |
| US-20100317659-A1 | JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF | JAK2, JAK3, JAK1 | JAK2 1/4885CYP3A4 3115/4885CYP2C8 2046/4885 |
| US-20120053194-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | JAK1, JAK3, JAK2 | JAK2 3/4885CYP3A4 1754/4885CYP2C8 1558/4885 |
| US-20120053176-A1 | ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | ADORA2A, ADORA3, ADORA1 | JAK2 3914/4885CYP3A4 2890/4885CYP2C8 1987/4885 |
| US-20120053193-A1 | OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | JAK1, JAK3, JAK2 | JAK2 3/4885CYP3A4 2419/4885CYP2C8 1320/4885 |
“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.