Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL13946079 | 0.87 | CYP2D6 (0.40) | HRH3CYP2D6KCNH2ALDH1A1TDP1 | |
| SCHEMBL18925629 | 0.87 | CYP2D6 (0.40) | HRH3CYP2D6KCNH2ALDH1A1TDP1 | |
| SCHEMBL24931524 | 0.81 | HRH3 (0.48) | HRH3CYP2D6KCNH2ALDH1A1CHRNA7 | |
| SCHEMBL179369 | 0.81 | HRH3 (0.63) | HRH3CYP2D6KCNH2ALDH1A1HTT | |
| SCHEMBL7882373 | 0.77 | HRH3 (0.50) | HRH3CYP2D6KCNH2ALDH1A1CHRNA7 | |
| SCHEMBL18270115 | 0.77 | HRH3 (0.46) | HRH3CYP2D6KCNH2CHRNA7KDM1A | |
| SCHEMBL21776124 | 0.77 | UBE2M (0.34) | ALDH1A1TDP1 | |
| SCHEMBL20620367 | 0.75 | CYP2D6 (0.34) | HRH3CYP2D6KCNH2ALDH1A1TDP1 | |
| SCHEMBL2952809 | 0.74 | HRH3 (0.43) | HRH3CYP2D6KCNH2ALDH1A1CHRNA7 | |
| SCHEMBL20661574 | 0.74 | HRH3 (0.43) | HRH3CYP2D6KCNH2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11529347-B2 | SHP2 phosphatase inhibitors and methods of use thereof | RELAY THERAPEUTICS, INC. (US) | 2022-12-20 | — | — | US | disclosed |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| US-20200062760-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2020-02-27 | — | — | US | disclosed |
| US-20190307745-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2019-10-10 | — | — | US | disclosed |
| WO-2018081091-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018057884-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |
| US-8623857-B2 | N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |
| US-20130079326-A1 | N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 | MERCK SHARP & DOHME CORP. | 2013-03-28 | — | — | US | 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 (5 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-20200062760-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPRCAP, PTPRJ, PTPRC | HRH3 3727/4885CYP2D6 4575/4885KCNH2 4752/4885 |
| US-20190307745-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPN21, PTPN5, PTPN1 | HRH3 2546/4885CYP2D6 4253/4885KCNH2 3020/4885 |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | PTPRJ, PTPN2, PTPN5 | HRH3 4514/4885CYP2D6 3453/4885KCNH2 4433/4885 |
| US-11529347-B2 | SHP2 phosphatase inhibitors and methods of use thereof | PTPN21, PTPN22, PTPN5 | HRH3 2558/4885CYP2D6 4022/4885KCNH2 2587/4885 |
| US-20130079326-A1 | N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 | PDPK1, PDK1, PDK3 | HRH3 1167/4885CYP2D6 3549/4885KCNH2 1146/4885 |
“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.