Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 10/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22050044 | 1.00 | KDM1A (0.34) | KDM1ABCHEF12HTR2CMEN1 | |
| SCHEMBL22050033 | 1.00 | KDM1A (0.34) | KDM1ABCHEF12HTR2CMEN1 | |
| SCHEMBL24090522 | 0.81 | AR (0.40) | BCHEF12HTR2C | |
| SCHEMBL18886131 | 0.81 | AR (0.40) | BCHEF12HTR2C | |
| SCHEMBL13059131 | 0.81 | AR (0.40) | BCHEF12HTR2C | |
| SCHEMBL20571539 | 0.76 | PNMT (0.36) | HTR2CMEN1KMT2A | |
| SCHEMBL19457862 | 0.76 | F12 (0.37) | F12ALDH1A1 | |
| SCHEMBL6280001 | 0.76 | F12 (0.43) | F12 | |
| SCHEMBL20572146 | 0.75 | PNMT (0.41) | ALDH1A1 | |
| SCHEMBL20571524 | 0.75 | PNMT (0.41) | ALDH1A1 |
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 12 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 |
| EP-3116874-B1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | ABBVIE DEUTSCHLAND (DE) | 2018-02-28 | — | — | EP | disclosed |
| US-20170112851-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-04-27 | — | — | US | disclosed |
| EP-3116874-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-01-18 | — | — | EP | disclosed |
| US-9540376-B2 | Hexahydrodiazepinoquinolines carrying a substituted alkyl radical | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20150259346-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-09-17 | — | — | US | disclosed |
| WO-2015136091-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-09-17 | — | — | 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 (4 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 | KDM1A 1533/4885BCHE 4744/4885F12 4555/4885 |
| US-11591336-B2 | Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors | PTPN5, PTPN2, PTPN1 | KDM1A 954/4885BCHE 4787/4885F12 4405/4885 |
| US-20170112851-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | HTR2C, HTR2A, HTR3C | KDM1A 2843/4885BCHE 1182/4885F12 3630/4885 |
| US-20150259346-A1 | HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL | HTR2C, HTR2A, HTR3C | KDM1A 2843/4885BCHE 1182/4885F12 3630/4885 |
“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.