Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1451559 | 0.89 | NOS3 (0.47) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL15450789 | 0.76 | NOS3 (0.53) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL54818 | 0.76 | CYP11B1 (0.41) | ALDH1A1AR | |
| SCHEMBL215105 | 0.75 | ALDH1A1 (0.63) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL218638 | 0.75 | NOS3 (0.54) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL499229 | 0.75 | NOS3 (0.54) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL1581940 | 0.75 | NOS3 (0.52) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL1226210 | 0.74 | KMT2A (0.33) | KMT2ATSHR | |
| SCHEMBL10264003 | 0.74 | NOS3 (0.51) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL217201 | 0.74 | NOS3 (0.47) | NOS3NOS1ALDH1A1HTR2ASLC6A4 |
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-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 |
| EP-2387395-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | Rigel Pharmaceuticals, Inc. (US) | 2011-11-23 | — | — | EP | disclosed |
| US-8040491-B2 | Exposure method, substrate stage, exposure apparatus, and device manufacturing method | NIKON CORPORATION (JP) | 2011-10-18 | — | — | US | 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 1085/4885NOS2 1609/4885 |
“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.