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 SCHEMBL29427672 | 1.00 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29578828 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL175041 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL173827 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL256569 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29522676 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL164912 | 0.99 | JAK2 (1.00) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL173361 | 0.98 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL186942 | 0.98 | JAK2 (0.98) | JAK2CYP3A4CYP2C8CYP2C9JAK1 | |
| Ac-430 SCHEMBL29522921 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611253-B2 | Solid forms comprising optically active pyrazolylaminoquinazoline, compositions thereof, and uses therewith | AMBIT BIOSCIENCES CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| EP-2611792-B1 | HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE | AMBIT BIOSCIENCES CORP (US) | 2017-02-01 | — | — | EP | disclosed |
| US-20150025092-A1 | SOLID FORMS COMPRISING OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, COMPOSITIONS THEREOF, AND USES THEREWITH | AMBIT BIOSCIENCES CORPORATION | 2015-01-22 | — | — | US | disclosed |
| US-8633209-B2 | Hydrobromide salts of a pyrazolylaminoquinazoline | AMBIT BIOSCIENCES CORPORATION (US) | 2014-01-21 | — | — | US | disclosed |
| EP-2611792-A1 | HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE | Ambit Biosciences Corporation (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012030885-A1 | HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |
| US-20120053195-A1 | HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE | AMBIT BIOSCIENCES CORP. (US) | 2012-03-01 | — | — | 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-20150025092-A1 | SOLID FORMS COMPRISING OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, COMPOSITIONS THEREOF, AND USES THEREWITH | GLS, GLS2, RECQL | JAK2 870/4885CYP3A4 395/4885CYP2C8 279/4885 |
| US-20120053195-A1 | HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE | VHL, TP53, GLS | JAK2 504/4885CYP3A4 2452/4885CYP2C8 834/4885 |
“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.