Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 5/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20572146 | 1.00 | PNMT (0.41) | PNMTCHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL20571524 | 1.00 | PNMT (0.41) | PNMTCHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL20571539 | 0.79 | PNMT (0.36) | PNMTKDM4EMAPTAR | |
| SCHEMBL20571697 | 0.78 | CHRNA1 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL20572046 | 0.78 | CHRNA1 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL20571695 | 0.78 | CHRNA1 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL22050033 | 0.75 | KDM1A (0.34) | ALDH1A1 | |
| SCHEMBL17075166 | 0.75 | KDM1A (0.34) | ALDH1A1 | |
| SCHEMBL22050044 | 0.75 | KDM1A (0.34) | ALDH1A1 | |
| SCHEMBL6769498 | 0.70 | SLC6A4 (0.37) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3630770-B1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS INC (US) | 2024-08-28 | — | — | EP | disclosed |
| US-11591336-B2 | Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors | D. E. SHAW RESEARCH, LLC (US) | 2023-02-28 | — | — | US | disclosed |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| EP-3630770-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | Relay Therapeutics, Inc. (US) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018218133-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2018-11-29 | — | — | 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 (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-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | PTPRJ, PTPN2, PTPN5 | PNMT 4675/4885CHRNA1 4297/4885CHRNG 4367/4885 |
| US-11591336-B2 | Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors | PTPN5, PTPN2, PTPN1 | PNMT 4694/4885CHRNA1 4456/4885CHRNG 4630/4885 |
“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.