Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 5/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 4/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3583021 | 0.96 | ROCK1 (0.39) | ROCK1DRD2HTR2AIDO1CCNA2 | |
| SCHEMBL3572185 | 0.93 | ROCK1 (0.39) | ROCK1DRD2HTR2AIDO1CCNA2 | |
| SCHEMBL3579510 | 0.90 | ROCK1 (0.40) | ROCK1DRD2HTR2AIDO1SRC | |
| SCHEMBL3575981 | 0.89 | ROCK1 (0.40) | ROCK1DRD2HTR2AIDO1CCNA2 | |
| SCHEMBL3576857 | 0.89 | ROCK1 (0.40) | ROCK1DRD2HTR2AIDO1SRC | |
| SCHEMBL3576858 | 0.86 | ROCK1 (0.36) | ROCK1IDO1SYK | |
| SCHEMBL3574636 | 0.86 | ROCK1 (0.36) | ROCK1DRD2HTR2AIDO1SRC | |
| SCHEMBL3574639 | 0.83 | ROCK1 (0.35) | ROCK1DRD2HTR2AIDO1CCNA2 | |
| SCHEMBL3582473 | 0.81 | ROCK1 (0.40) | ROCK1SRCABL1PDGFRB | |
| SCHEMBL13407811 | 0.79 | CA1 (0.35) | SRCPDGFRB |
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-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 | ROCK1 1537/4885DRD2 1923/4885HTR2A 2141/4885 |
“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.