Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSV | O60911 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| SCHEMBL5864351 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL29594919 | 0.87 | CYP1A2 (0.64) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL2385986 | 0.87 | CYP1A2 (0.64) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL28068351 | 0.83 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL2557500 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL28428327 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL27882095 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL2008245 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1ALOX15KMT2A | |
| SCHEMBL4002644 | 0.81 | GAA (0.54) | ALDH1A1TDP1KMT2ACYP1A2TP53 | |
| SCHEMBL28426985 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1ALOX15KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105017152-B | Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline | 北京六合宁远科技有限公司 | 2017-05-10 | — | — | CN | claimed |
| CN-105017152-A | Preparation method of 3-chloro(bromo)-6-nitroisoquinoline | BEIJING LIUHE NINGYUAN TECHNOLOGY CO LTD | 2015-11-04 | — | — | CN | claimed |
| CN-105017152-B | Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline | 北京六合宁远科技有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-105017152-B | Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline | 北京六合宁远科技有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-105017152-A | Preparation method of 3-chloro(bromo)-6-nitroisoquinoline | BEIJING LIUHE NINGYUAN TECHNOLOGY CO LTD | 2015-11-04 | — | — | CN | disclosed |
| CN-105017152-A | Preparation method of 3-chloro(bromo)-6-nitroisoquinoline | BEIJING LIUHE NINGYUAN TECHNOLOGY CO LTD | 2015-11-04 | — | — | CN | disclosed |
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | US | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | US | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | 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-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | SULT1E1, RECQL, HAX1 | ALDH1A1 61/4885CYP3A4 375/4885TDP1 289/4885 |
“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.