Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | CDK9 | P50750 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17196766 | 0.94 | HRH1 (0.39) | HDAC3CDK9HDAC6ROCK1HDAC1 | |
| SCHEMBL17196931 | 0.89 | CHRNB2 (0.51) | CHRNB2CHRNA4ROCK1ROCK2CDC42BPA | |
| SCHEMBL17196751 | 0.85 | CHRM1 (0.43) | CHRNB2CHRNA4HTR1ASLC6A2 | |
| SCHEMBL22895691 | 0.83 | HDAC3 (0.38) | HDAC3CDK9HDAC6HDAC1 | |
| SCHEMBL13649064 | 0.79 | IKBKB (0.43) | ROCK1IKBKBHRH1SLC6A2SLC6A4 | |
| SCHEMBL18563159 | 0.79 | SLC6A2 (0.41) | HTR1ASLC6A2SLC6A4 | |
| SCHEMBL4535316 | 0.77 | LRRK2 (0.42) | HDAC3CDK9HDAC6 | |
| SCHEMBL5021108 | 0.72 | CNR2 (0.34) | HDAC3CDK9HDAC6HDAC1 | |
| SCHEMBL16668447 | 0.72 | FGFR4 (0.42) | — | |
| SCHEMBL21606934 | 0.72 | HRH1 (0.52) | CHRNB2CHRNA4ROCK1IKBKBHRH1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3144292-B1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) | 2020-08-26 | — | — | EP | disclosed |
| US-9879008-B2 | 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2018-01-30 | — | — | US | disclosed |
| US-9879008-B2 | 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2018-01-30 | — | — | US | disclosed |
| EP-3144292-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20170057957-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-03-02 | — | — | US | disclosed |
| US-20170057957-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-03-02 | — | — | US | disclosed |
| WO-2015158233-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | 上海海雁医药科技有限公司 | 2015-10-22 | — | — | 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-20170057957-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | CYP4F11, CYP2D6, CYP4B1 | CHRNB2 4656/4885CHRNA4 4492/4885HDAC3 4384/4885 |
“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.