Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 15/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8153074 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAOBCDK9DYRK1ACYP1A2 | |
| SCHEMBL14231743 | 0.77 | MAOB (0.71) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL170369 | 0.77 | ALDH1A1 (0.55) | ALDH1A1MAOBDYRK1AADORA3CA12 | |
| SCHEMBL23332350 | 0.76 | MAOB (0.68) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL8037247 | 0.74 | CDK9 (0.50) | MAOBCDK9DYRK1ACA12CA1 | |
| SCHEMBL12347 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL23241640 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL10475847 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL8548780 | 0.74 | MAOB (0.56) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL12510008 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9975899-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-22 | — | — | US | disclosed |
| US-9975899-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-22 | — | — | US | disclosed |
| US-20170073348-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-16 | — | — | US | disclosed |
| US-20170073348-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-16 | — | — | US | disclosed |
| US-9493468-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-15 | — | — | US | disclosed |
| US-9493468-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-15 | — | — | US | disclosed |
| EP-2707370-B1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-04-29 | — | — | EP | disclosed |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-13 | — | — | US | disclosed |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-13 | — | — | US | disclosed |
| WO-2012150305-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-08 | — | — | 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-20170073348-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | GABBR1, HRH4, CYP1B1 | ALDH1A1 410/4885MAOB 855/4885CDK9 664/4885 |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | GABBR1, HRH4, CYP1B1 | ALDH1A1 410/4885MAOB 855/4885CDK9 664/4885 |
“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.