Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1023211 | 0.83 | BRD4 (0.42) | KMT2ADGAT1ALDH1A1LMNATSHR | |
| SCHEMBL8259087 | 0.81 | POLB (0.38) | POLBGAAKMT2AMAPTALDH1A1 | |
| SCHEMBL2607204 | 0.81 | NCF1 (0.41) | POLBPARP14ITGB3ITGA2BGAA | |
| SCHEMBL18595476 | 0.81 | POLB (0.40) | POLBPARP14GAAMGAMSI | |
| SCHEMBL12788442 | 0.81 | KMT2A (0.37) | POLBPARP14ITGB3ITGA2BGAA | |
| SCHEMBL12788636 | 0.81 | ITGB3 (0.44) | PARP14ITGB3ITGA2BGAAMAPT | |
| SCHEMBL25281461 | 0.80 | HTR4 (0.39) | POLBPARP14ITGB3ITGA2BGAA | |
| SCHEMBL2721040 | 0.80 | — | — | |
| SCHEMBL18123299 | 0.79 | POLB (0.40) | POLBPARP14GAAMGAMSI | |
| SCHEMBL9201177 | 0.79 | GAA (0.57) | POLBPARP14GAAMAPTALDH1A1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9585889-B2 | Nitrogen-containing bicyclic aromatic heterocyclic compound | ASTELLAS PHARMA INC. (JP) | 2017-03-07 | — | — | US | disclosed |
| EP-3096754-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| US-20160228442-A1 | NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2016-08-11 | — | — | US | disclosed |
| US-9328118-B2 | Nitrogen-containing bicyclic aromatic heterocyclic compound | ASTELLAS PHARMA INC. (JP) | 2016-05-03 | — | — | US | disclosed |
| WO-2015112441-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |
| US-20150126488-A1 | NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC (JP) | 2015-05-07 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | 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-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | POLB 3562/4885PARP14 2493/4885ITGB3 868/4885 |
| US-20160228442-A1 | NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND | CTSS, CTSV, CTSB | POLB 3245/4885PARP14 2121/4885ITGB3 4202/4885 |
| US-20150126488-A1 | NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND | CTSS, CTSV, CTSB | POLB 3102/4885PARP14 2930/4885ITGB3 4210/4885 |
“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.