Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30336370 | 0.78 | NOS3 (0.54) | NOS3NOS1SMPD1SLC6A4HRH1 | |
| SCHEMBL29209071 | 0.78 | NOS3 (0.54) | NOS3NOS1SMPD1SLC6A4HRH1 | |
| SCHEMBL9080777 | 0.78 | CYP11B2 (0.44) | SLC6A4MEN1KMT2AKMO | |
| SCHEMBL216988 | 0.77 | NOS3 (0.56) | NOS3NOS1SMPD1SLC6A4HRH1 | |
| SCHEMBL216078 | 0.76 | HRH1 (0.44) | NOS3NOS1SMPD1SLC6A4HRH1 | |
| SCHEMBL8562945 | 0.75 | NOS3 (0.48) | NOS3NOS1SMPD1MEN1KMT2A | |
| SCHEMBL216145 | 0.74 | NOS3 (0.44) | NOS3NOS1SLC6A4KMT2AALDH1A1 | |
| SCHEMBL499722 | 0.74 | NOS3 (0.50) | NOS3NOS1SMPD1SLC6A4ALDH1A1 | |
| SCHEMBL8151721 | 0.72 | CHRM2 (0.48) | NOS3NOS1SLC6A4ALDH1A1KMO | |
| SCHEMBL19669650 | 0.72 | NOS3 (0.51) | NOS3NOS1ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | US | disclosed |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | 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-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | WEE1, WEE2, DCK | NOS3 788/4885NOS1 1085/4885SMPD1 4165/4885 |
“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.