Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4181123 | 0.81 | TUBB4A (0.49) | JAK3JAK2PTK2HTTGSK3B | |
| SCHEMBL4184558 | 0.73 | PTGS2 (0.43) | HPGDEGFRKDRCLK4PTGS1 | |
| SCHEMBL3518683 | 0.72 | IKBKB (0.66) | CDK9CCNT1SLC2A1CDK2AURKA | |
| SCHEMBL4179144 | 0.71 | PTGS2 (0.49) | KDRPTGS1PTGS2 | |
| SCHEMBL4180996 | 0.71 | JAK2 (0.52) | JAK2PTK2HPGDKDRCLK4 | |
| SCHEMBL4175663 | 0.71 | KDR (0.42) | CDK9CCNT1KDRPTGS1PTGS2 | |
| SCHEMBL4180692 | 0.71 | JAK2 (0.40) | JAK2PTK2KDRPTGS1PTGS2 | |
| SCHEMBL4176801 | 0.71 | EED (0.52) | HPGDHTTKDRLMNAPTGS1 | |
| SCHEMBL4179128 | 0.70 | JAK2 (0.52) | JAK2PTK2KDRPTGS1PTGS2 | |
| SCHEMBL3611442 | 0.70 | CDK9 (0.70) | CDK9CCNT1ROCK1SLC2A1CDK2 |
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-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | CHEN XIAOLING | 2009-12-24 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| US-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2009-02-19 | — | — | US | disclosed |
| WO-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | 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 (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-20090048301-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | TP53, MCL1, VHL | TNNI3K 1046/4885RAF1 595/4885BRAF 179/4885 |
| US-20090318438-A1 | Heterocyclic compounds and their use as anticancer agents | TP53, MCL1, VHL | TNNI3K 1046/4885RAF1 595/4885BRAF 179/4885 |
“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.