Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 5/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13315213 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL22233663 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL16095456 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL13352069 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL735643 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL10113719 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL12135068 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| Oxalic Acid SCHEMBL30381775 | 0.96 | HTR3A (0.42) | HTR3AHTR4BTKGAAEPHX2 | |
| Oxalic Acid SCHEMBL31213543 | 0.96 | HTR3A (0.42) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL25145140 | 0.88 | BTK (0.38) | HTR3AHTR4BTKGAAEPHX2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12030897-B2 | Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof | MEDSHINE DISCOVERY INC. (CN) | 2024-07-09 | — | — | US | disclosed |
| WO-2019214651-A1 | PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF | 南京明德新药研发有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| EP-2367800-B1 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | 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 (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-12030897-B2 | Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof | ERBB2, EGFR, ERBB3 | HTR3A 1500/4885HTR4 1584/4885BTK 156/4885 |
“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.