Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.57 |
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.47 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.47 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1555612 | 1.00 | KDR (0.59) | KDRPDK1CASRGRM4LMNA | |
| SCHEMBL1555740 | 0.88 | KDR (0.44) | KDRPDK1CASRLMNAGAA | |
| SCHEMBL733552 | 0.88 | KDR (0.44) | KDRPDK1CASRLMNAGAA | |
| SCHEMBL733551 | 0.88 | KDR (0.44) | KDRPDK1CASRLMNAGAA | |
| SCHEMBL19951698 | 0.86 | SMN1; SMN2 (0.43) | KDRPDK1LMNAMAPTNPSR1 | |
| SCHEMBL1555605 | 0.86 | SMN1; SMN2 (0.43) | KDRPDK1LMNAMAPTNPSR1 | |
| SCHEMBL11061095 | 0.86 | KDR (0.56) | KDRPDK1CASRGRM4LMNA | |
| SCHEMBL11198197 | 0.86 | KDR (0.56) | KDRPDK1CASRGRM4LMNA | |
| SCHEMBL734692 | 0.84 | AR (0.53) | GRM4LMNAHTTSMN1; SMN2 | |
| SCHEMBL4994040 | 0.82 | KDR (0.52) | KDRPDK1LMNAGAAMAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2491022-B1 | DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| CN-102112451-B | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2014-01-22 | — | — | CN | disclosed |
| US-8445674-B2 | Heterocyclyl compounds | Hoffmann-La Roche Inc (US) | 2013-05-21 | — | — | US | disclosed |
| CN-102762541-A | Diaza derivatives as modulators of chemokine receptors | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |
| EP-2491022-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2011048032-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-28 | — | — | WO | disclosed |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2011-04-21 | — | — | US | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | 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 (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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | KDR 880/4885PDK1 2331/4885CASR 332/4885 |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR1 | KDR 334/4885PDK1 1808/4885CASR 455/4885 |
“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.