Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17540637 | 0.77 | KMT2A (0.44) | KMT2AMEN1 | |
| SCHEMBL17540639 | 0.77 | SPR (0.46) | KMT2AMTNR1AMTNR1BTAAR1MEN1 | |
| SCHEMBL17540640 | 0.76 | CA12 (0.41) | KMT2APOLBMTNR1AMTNR1BTAAR1 | |
| SCHEMBL29988047 | 0.76 | HTR2A (0.43) | KMT2AMEN1ATMSMN1; SMN2HTR2A | |
| SCHEMBL29129295 | 0.76 | HTR2A (0.43) | KMT2AMEN1ATMSMN1; SMN2HTR2A | |
| SCHEMBL9935086 | 0.75 | TAAR1 (0.52) | KMT2APOLBTAAR1MEN1GAA | |
| SCHEMBL28122949 | 0.75 | ALDH1A1 (0.37) | KMT2AMEN1SMN1; SMN2ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL696798 | 0.74 | TAAR1 (0.51) | KMT2APOLBTAAR1MEN1GAA | |
| SCHEMBL20052592 | 0.71 | MEN1 (0.43) | KMT2ATAAR1MEN1SMN1; SMN2 | |
| SCHEMBL22053013 | 0.70 | KMT2A (0.46) | KMT2AMEN1ALDH1A1GAA |
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-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-06-11 | — | — | US | disclosed |
| EP-3186250-B1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-02-08 | — | — | US | disclosed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-3186250-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. Hoffmann-La Roche AG (CH) | 2017-07-05 | — | — | EP | disclosed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | disclosed |
| CN-106470994-A | For treating substituted pyrazine simultaneously [2,1 A] isoquinilone derivatives of CNS disease | 豪夫迈·罗氏有限公司 | 2017-03-01 | — | — | CN | disclosed |
| WO-2016030306-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-03-03 | — | — | 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 (3 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-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, CYP11B2, CYP1A2 | KMT2A 277/4885POLB 3341/4885MTNR1A 61/4885 |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HCRTR2, HCRTR1, CYP11B2 | KMT2A 315/4885POLB 2860/4885MTNR1A 42/4885 |
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HCRTR2, HCRTR1, CYP11B2 | KMT2A 315/4885POLB 2860/4885MTNR1A 42/4885 |
“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.