Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 8/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL20572191 | 0.76 | NOTUM (0.39) | NUDT1ALDH1A1 | |
| SCHEMBL31571145 | 0.74 | ADRA1A (0.46) | NUDT1BRD4KDM1ABCHES1PR1 | |
| SCHEMBL25342993 | 0.74 | ADRA1A (0.46) | NUDT1BRD4KDM1ABCHES1PR1 | |
| SCHEMBL20570899 | 0.71 | NUDT1 (0.43) | NUDT1KDM1ABCHE | |
| SCHEMBL30826409 | 0.71 | NUDT1 (0.47) | NUDT1NPC1KDM1ABCHEALDH1A1 | |
| SCHEMBL5757236 | 0.71 | NUDT1 (0.47) | NUDT1NPC1KDM1ABCHEALDH1A1 | |
| SCHEMBL537240 | 0.70 | BRD4 (0.40) | BRD4NPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL14785203 | 0.69 | PARP10 (0.51) | NUDT1NPC1SMN1; SMN2BCHEALDH1A1 | |
| SCHEMBL21091606 | 0.69 | RAB9A (0.57) | BRD4NPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL20112066 | 0.69 | NUDT1 (0.39) | NUDT1BRD4KDM1ABCHE |
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 | NUDT1 3723/4885BRD4 1041/4885NPC1 2408/4885 |
| US-11591336-B2 | Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors | PTPN5, PTPN2, PTPN1 | NUDT1 3752/4885BRD4 1260/4885NPC1 2889/4885 |
“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.