Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 14/20 | 0.51 |
| ▸ | HTR2C | P28335 | 13/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13407808 | 0.90 | HTR2A (0.51) | HTR2AHTR2CROCK1L3MBTL1APOBEC3A | |
| SCHEMBL3306451 | 0.81 | HTR2A (0.64) | HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G | |
| SCHEMBL3575981 | 0.80 | ROCK1 (0.40) | HTR2AROCK1 | |
| SCHEMBL3579510 | 0.79 | ROCK1 (0.40) | HTR2AROCK1 | |
| SCHEMBL3576857 | 0.79 | ROCK1 (0.40) | HTR2AROCK1 | |
| SCHEMBL3583021 | 0.79 | ROCK1 (0.39) | HTR2AROCK1 | |
| SCHEMBL3572185 | 0.79 | ROCK1 (0.39) | HTR2AROCK1 | |
| SCHEMBL3575855 | 0.78 | ROCK1 (0.38) | HTR2AROCK1 | |
| SCHEMBL4623988 | 0.78 | HTR2A (0.59) | HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G | |
| SCHEMBL3574636 | 0.78 | ROCK1 (0.36) | HTR2AROCK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | claimed |
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-22 | — | — | US | disclosed |
| WO-2008099075-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2008-08-21 | — | — | 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 (1 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-20100099694-A1 | 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS | CHUK, IKBKB, IKBKE | HTR2A 2141/4885HTR2C 2621/4885ROCK1 1537/4885 |
“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.