Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.68 |
| ▸ | KDR | P35968 | 7/20 | 0.68 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.68 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.68 |
| ▸ | MET | P08581 | 2/20 | 0.68 |
| ▸ | INSR | P06213 | 2/20 | 0.68 |
| ▸ | CDC7 | O00311 | 1/20 | 0.68 |
| ▸ | PLK4 | O00444 | 1/20 | 0.68 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.68 |
| ▸ | AURKA | O14965 | 1/20 | 0.68 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.68 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.68 |
| ▸ | JAK2 | O60674 | 1/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.68 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.68 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.68 |
| ▸ | PAK4 | O96013 | 1/20 | 0.68 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.68 |
| ▸ | ABL1 | P00519 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL12565177 | 1.00 | IRAK4 (0.68) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1001687 | 1.00 | IRAK4 (0.68) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1000681 | 0.93 | KDR (0.74) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1000684 | 0.93 | KDR (0.74) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1000682 | 0.93 | KDR (0.74) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1053382 | 0.89 | KDR (0.62) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1994190 | 0.89 | KDR (0.62) | IRAK4KDRAURKBALKMET | |
| SCHEMBL12565225 | 0.88 | IRAK4 (0.73) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1001504 | 0.85 | KDR (0.66) | IRAK4KDRAURKBALKMET | |
| SCHEMBL1001506 | 0.85 | KDR (0.66) | IRAK4KDRAURKBALKMET |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410093-B2 | Cycloalkyl substituted pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2013-04-02 | — | — | US | disclosed |
| US-20110152518-A1 | Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2011-06-23 | — | — | US | disclosed |
| US-7868013-B2 | Cycloalkyl substituted pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-7754714-B2 | (1S, 2R)-N4-(2-Aminocarbonylcyclopent-1-yl)-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)-3-methylphenyl]-2,4-pyrimidinediamine, having antiproliferative activity, used to inhibit cellular proliferation and to treat proliferate diseases such as cancers | RIGEL PHARMACEUTICALS, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20070299060-A1 | Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2007-12-27 | — | — | US | disclosed |
| US-20060035891-A1 | Cycloalkyl substituted pyrimidinediamine compounds and their uses | MIDCAP FINANCIAL TRUST | 2006-02-16 | — | — | 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 (3 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-20110152518-A1 | Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses | MKI67, PCNA, TK1 | IRAK4 4592/4885KDR 1710/4885AURKB 145/4885 |
| US-20070299060-A1 | Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses | MKI67, PCNA, TK1 | IRAK4 4592/4885KDR 1710/4885AURKB 145/4885 |
| US-20060035891-A1 | Cycloalkyl substituted pyrimidinediamine compounds and their uses | MKI67, PCNA, TK1 | IRAK4 4592/4885KDR 1710/4885AURKB 145/4885 |
“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.