Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 5/20 | 0.44 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | ULK1 | O75385 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 2/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4584599 | 0.78 | PTK2 (0.50) | PTK2IGF1RCDK2CDK1KDR | |
| SCHEMBL4583100 | 0.72 | CDK1 (0.64) | PTK2IGF1RCDK2CDK1KDR | |
| SCHEMBL14112895 | 0.71 | CDK1 (0.64) | PTK2CDK2CDK1KDRCCNB1 | |
| SCHEMBL5262136 | 0.69 | GSK3B (0.78) | PTK2IGF1RCDK2CDK1KDR | |
| SCHEMBL8162368 | 0.69 | MEN1 (0.55) | KDRNPC1MAPTPIM1RAB9A | |
| SCHEMBL29501817 | 0.69 | MEN1 (0.55) | KDRNPC1MAPTPIM1RAB9A | |
| SCHEMBL3586236 | 0.68 | GSK3B (0.43) | IGF1RCDK2CDK1KDRCCNB1 | |
| SCHEMBL904444 | 0.66 | NPC1 (0.60) | KDRNPC1RAB9A | |
| SCHEMBL29408382 | 0.66 | NPC1 (0.60) | KDRNPC1RAB9A | |
| SCHEMBL14112898 | 0.65 | CDK1 (0.55) | PTK2IGF1RCDK2CDK1KDR |
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-20080176866-A1 | 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent | BAYER SCHERING PHARMA AG (DE) | 2008-07-24 | — | — | US | disclosed |
| US-20080176866-A1 | 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent | BAYER SCHERING PHARMA AG (DE) | 2008-07-24 | — | — | US | disclosed |
| US-20080176866-A1 | 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent | BAYER SCHERING PHARMA AG (DE) | 2008-07-24 | — | — | US | disclosed |
| EP-1939185-A1 | New types of hetaryl-phenylendiamin-pyrimidines as protein kinase inhibitors for the treatment of cancer | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2008074515-A1 | NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008074515-A1 | NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-26 | — | — | 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-20080176866-A1 | 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent | CDK2, MKI67, ERBB2 | PTK2 55/4885IGF1R 533/4885CDK2 1/4885 |
“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.