Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 15/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CBLB | Q13191 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5657891 | 0.80 | LMNA (0.51) | CYP3A4ALDH1A1KDM4E | |
| SCHEMBL24220344 | 0.79 | NPC1 (0.48) | GCKALDH1A1KDM4E | |
| SCHEMBL5659050 | 0.76 | ALDH1A1 (0.56) | GCKMAPK1ALDH1A1KDM4E | |
| SCHEMBL4027723 | 0.74 | HTT (0.43) | GCKCBLBALDH1A1KDM4E | |
| SCHEMBL5654722 | 0.71 | GCK (0.46) | GCKCYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL14301814 | 0.69 | CBLB (0.43) | GCKCBLBALDH1A1KDM4E | |
| SCHEMBL62239 | 0.68 | ALDH1A1 (0.42) | CYP3A4CBLBALDH1A1KDM4E | |
| SCHEMBL2666675 | 0.67 | GCK (0.40) | GCKCBLBKDM4E | |
| SCHEMBL4287179 | 0.67 | TSHR (0.43) | CYP3A4TSHRMAPK1ALDH1A1KDM4E | |
| 4,4'-Thiodianiline SCHEMBL49068 | 0.66 | CYP3A4 (1.00) | CYP3A4TSHRMAPK1ALDH1A1KDM4E |
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-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-7262185-B2 | Benzazepine derivative, process for producing the same, and use | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20040235822-A1 | Benzazepine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1422228-A1 | BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-05-26 | — | — | EP | 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-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 | GCK 840/4885CYP3A4 1189/4885TSHR 896/4885 |
| US-20040235822-A1 | Benzazepine derivative, process for producing the same, and use | CYP1B1, CYP1A1, CYP2E1 | GCK 2951/4885CYP3A4 10/4885TSHR 2872/4885 |
“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.