Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.49 |
| ▸ | EIF4H | Q15056 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10050955 | 0.86 | PABPC1 (0.58) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL22050086 | 0.81 | COMT (0.55) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL20571672 | 0.80 | TSHR (0.52) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL11681357 | 0.79 | TSHR (0.54) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL5243080 | 0.79 | COMT (0.56) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL4325354 | 0.79 | TSHR (0.54) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL1626273 | 0.79 | CA2 (0.56) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL10019198 | 0.78 | TSHR (0.50) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL28392188 | 0.78 | TSHR (0.50) | TSHRCYP3A4NFKB1THPOHIF1A | |
| SCHEMBL16002892 | 0.78 | FTO (0.57) | TSHRCYP3A4NFKB1THPOHIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | TSHR 1884/4885CYP3A4 4413/4885NFKB1 761/4885 |
| US-11591336-B2 | Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors | PTPN5, PTPN2, PTPN1 | TSHR 2314/4885CYP3A4 3818/4885NFKB1 894/4885 |
“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.