Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20276207 | 1.00 | IDH1 (0.31) | IDH1SMYD3BTKCA12CA1 | |
| SCHEMBL20276234 | 0.79 | HCRTR2 (0.36) | CA12CA1CA7CA14 | |
| SCHEMBL25444142 | 0.79 | HCRTR2 (0.36) | CA12CA1CA7CA14 | |
| SCHEMBL14519192 | 0.79 | HCRTR2 (0.36) | CA12CA1CA7CA14 | |
| SCHEMBL14519191 | 0.79 | HCRTR2 (0.36) | CA12CA1CA7CA14 | |
| SCHEMBL16907757 | 0.76 | CA1 (0.34) | SMYD3BTKCA12CA1CA7 | |
| SCHEMBL10693905 | 0.76 | CA12 (0.52) | SMYD3CA12CA1CA7CA14 | |
| SCHEMBL25987937 | 0.72 | SMYD3 (0.36) | SMYD3CA12CA7CA14 | |
| SCHEMBL20892760 | 0.70 | TSHR (0.41) | SMYD3BTK | |
| SCHEMBL20276268 | 0.70 | TSHR (0.41) | SMYD3BTK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10314841-B2 | Substituted pyrazoles as IRAK inhibitors | MERCK PATENT GMBH (DE) | 2019-06-11 | — | — | US | disclosed |
| US-20180169094-A1 | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | MERCK PATENT GMBH (DE) | 2018-06-21 | — | — | US | disclosed |
| US-20180169094-A1 | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | MERCK PATENT GMBH (DE) | 2018-06-21 | — | — | 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-20180169094-A1 | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | IRAK2, IRAK3, IRAK1 | IDH1 1594/4885SMYD3 3146/4885BTK 16/4885 |
| US-10314841-B2 | Substituted pyrazoles as IRAK inhibitors | IRAK2, IRAK3, IRAK1 | IDH1 2013/4885SMYD3 2345/4885BTK 28/4885 |
“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.