Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 6/20 | 0.45 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16446529 | 0.87 | PDE4B (0.47) | PDE4BSMPD3GGPS1RAB9ANPC1 | |
| SCHEMBL16446568 | 0.82 | PDE4B (0.39) | PDE4BSMPD3PIK3CARAB9ANPC1 | |
| SCHEMBL16447006 | 0.76 | PDE4B (0.64) | PDE4BPIK3CARAB9APTGS1PTGS2 | |
| SCHEMBL16447005 | 0.76 | PDE4B (0.64) | PDE4BPIK3CARAB9APTGS1PTGS2 | |
| SCHEMBL16446770 | 0.75 | PDE4B (0.59) | PDE4BPIK3CAGGPS1RAB9ANPC1 | |
| SCHEMBL16446729 | 0.72 | HSP90AA1 (0.41) | PIK3CAL3MBTL1LMNAPIK3CDPIK3CB | |
| SCHEMBL19118427 | 0.72 | PDE4B (0.41) | PDE4BSMPD3PIK3CARAB9ANPC1 | |
| SCHEMBL16447027 | 0.69 | PDE4B (0.61) | PDE4BPTGS1PTGS2 | |
| SCHEMBL297608 | 0.69 | TFPI2 (0.40) | PDE4BSMPD3PIK3CARAB9ALMNA | |
| SCHEMBL18009865 | 0.69 | BUB1 (0.34) | PIK3CAL3MBTL1PIK3CDPIK3CBPIK3CG |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3030565-B1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| US-9688683-B2 | Substituted condensed pyrimidine compounds | Grünenthal GmbH (DE) | 2017-06-27 | — | — | US | disclosed |
| EP-3030565-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-06-15 | — | — | EP | disclosed |
| US-20160152624-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-06-02 | — | — | US | disclosed |
| WO-2015018534-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2015-02-12 | — | — | 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 (1 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-20160152624-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | PDE4A, PDE4B, TYMP | PDE4B 2/4885SMPD3 235/4885PIK3CA 522/4885 |
“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.