Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2737409 | 0.90 | HRH3 (0.58) | HRH3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL22098608 | 0.90 | HRH3 (0.58) | HRH3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL12026440 | 0.86 | HRH3 (0.48) | HRH3 | |
| SCHEMBL21004282 | 0.85 | HRH3 (0.47) | HRH3 | |
| SCHEMBL12030786 | 0.83 | SLC6A2 (0.51) | HRH3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL19575434 | 0.83 | HRH3 (0.53) | HRH3SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL4236787 | 0.83 | HRH3 (0.54) | HRH3 | |
| SCHEMBL4237007 | 0.82 | HRH3 (0.48) | HRH3SLC6A2SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL4238759 | 0.81 | HRH3 (0.71) | HRH3 | |
| SCHEMBL8025279 | 0.80 | HRH3 (0.69) | HRH3SLC6A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| US-20180086720-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-03-29 | — | — | US | disclosed |
| US-9718803-B2 | Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors | AMGEN INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20160102075-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | AMGEN INC. (US) | 2016-04-14 | — | — | US | disclosed |
| US-8957073-B2 | Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors | AMGEN INC. | 2015-02-17 | — | — | US | disclosed |
| US-20140213572-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | AMGEN INC. (US) | 2014-07-31 | — | — | US | disclosed |
| US-8586751-B2 | Nicotinamide compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-11-19 | — | — | US | disclosed |
| US-20120082702-A1 | NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MEYERS SQUIBB COMPANY | 2012-04-05 | — | — | US | disclosed |
| US-20110306587-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | AMGEN INC. | 2011-12-15 | — | — | 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 (6 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-20140213572-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | PDE10A, PDE2A, PDE3A | HRH3 3292/4885SLC6A2 1990/4885SLC6A3 353/4885 |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | PTPRJ, PTPN2, PTPN5 | HRH3 4514/4885SLC6A2 4696/4885SLC6A3 4328/4885 |
| US-20120082702-A1 | NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS | NADK, BTK, NAMPT | HRH3 1169/4885SLC6A2 2469/4885SLC6A3 3623/4885 |
| US-20180086720-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | SMARCC1, SMARCC2, SMARCA4 | HRH3 203/4885SLC6A2 3171/4885SLC6A3 3203/4885 |
| US-20160102075-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | PDE10A, PDE2A, PDE3A | HRH3 3292/4885SLC6A2 1990/4885SLC6A3 353/4885 |
| US-20110306587-A1 | UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS | PDE10A, PDE2A, PDE3A | HRH3 3292/4885SLC6A2 1990/4885SLC6A3 353/4885 |
“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.