Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isoquinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL28990412 | 0.94 | IMPDH2 (0.47) | IMPDH2CYP3A4ROCK2ROCK1TNF | |
| Isoquinoline SCHEMBL11346369 | 0.91 | IMPDH2 (0.53) | IMPDH2CYP3A4ROCK2ROCK1TNF | |
| Isoquinoline SCHEMBL5656668 | 0.90 | KDM4E (0.47) | IMPDH2CYP3A4ROCK2ROCK1KDM4E | |
| Isoquinoline SCHEMBL8545526 | 0.89 | IMPDH2 (0.43) | IMPDH2CYP3A4ROCK2ROCK1SLC22A12 | |
| Isoquinoline SCHEMBL4353462 | 0.89 | IMPDH2 (0.51) | IMPDH2CYP3A4ROCK2ROCK1TNF | |
| Isoquinoline SCHEMBL2230386 | 0.88 | IMPDH2 (0.50) | IMPDH2CYP3A4ROCK2ROCK1TNF | |
| Isoquinoline SCHEMBL27997841 | 0.87 | KDM4E (0.48) | IMPDH2CYP3A4ROCK2TNFKDM4E | |
| SCHEMBL19840327 | 0.87 | TNF (0.52) | IMPDH2CYP3A4TNFKDM4EMAPKAPK2 | |
| Isoquinoline SCHEMBL28078805 | 0.87 | TNF (0.52) | IMPDH2CYP3A4TNFKDM4EMAPKAPK2 | |
| Isoquinoline SCHEMBL22639031 | 0.86 | CYP3A4 (0.43) | IMPDH2CYP3A4ROCK2KDM4EMAPKAPK2 |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104761494-B | A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin | 上海医药工业研究院 | 2018-01-19 | — | — | CN | claimed |
| CN-117229209-A | Synthetic method of isoquinoline-1, 3 (2H, 4H) -dione derivative | 浙江工业大学 | 2023-12-15 | — | — | CN | disclosed |
| US-11229637-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2022-01-25 | — | — | US | disclosed |
| US-20210060000-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | FIBROGEN, INC. | 2021-03-04 | — | — | US | disclosed |
| US-10646482-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20190240213-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | FIBROGEN, INC. | 2019-08-08 | — | — | US | disclosed |
| US-10092558-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2018-10-09 | — | — | US | disclosed |
| CN-104761494-B | A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin | 上海医药工业研究院 | 2018-01-19 | — | — | CN | disclosed |
| CN-104761494-B | A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin | 上海医药工业研究院 | 2018-01-19 | — | — | CN | disclosed |
| CN-107428880-A | Surfactant response emulsion polymerization microgel | 路博润先进材料公司 | 2017-12-01 | — | — | CN | disclosed |
| US-20040254215-A1 | Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders | FIBROGEN, INC. | 2004-12-16 | — | — | US | disclosed |
| WO-2004108681-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN | FIBROGEN, INC. (US) | 2004-12-16 | — | — | WO | disclosed |
| US-5189044-A | For treatment of diabetes complications | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-02-23 | — | — | US | disclosed |
| US-4983613-A | Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-01-08 | — | — | US | disclosed |
| US-4983613-A | Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-01-08 | — | — | US | disclosed |
| EP-0030861-B1 | ISOQUINOLINE ACETIC ACIDS AND PHARMACEUTICAL COMPOSITIONS THEREOF | PFIZER INC. (US) | 1983-07-27 | — | — | EP | disclosed |
| US-4283539-A | TREATMENT OF DIABETIC CATARACTS | PFIZER INC. (US) | 1981-08-11 | — | — | US | disclosed |
| US-4283539-A | TREATMENT OF DIABETIC CATARACTS | PFIZER INC. (US) | 1981-08-11 | — | — | US | disclosed |
| EP-0030861-A2 | Isoquinoline acetic acids and pharmaceutical compositions thereof | PFIZER INC. (US) | 1981-06-24 | — | — | EP | disclosed |
| EP-0030861-A2 | Isoquinoline acetic acids and pharmaceutical compositions thereof | PFIZER INC. (US) | 1981-06-24 | — | — | EP | 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 (6 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-11229637-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | HIF1AN, HIF1A, EGLN2 | IMPDH2 751/4885CYP3A4 2523/4885ROCK2 919/4885 |
| US-10646482-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | HIF1AN, HIF1A, EGLN2 | IMPDH2 751/4885CYP3A4 2523/4885ROCK2 919/4885 |
| US-20190240213-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | HIF1AN, EGLN3, EGLN2 | IMPDH2 602/4885CYP3A4 2861/4885ROCK2 825/4885 |
| US-10092558-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | HIF1AN, HIF1A, EGLN2 | IMPDH2 751/4885CYP3A4 2523/4885ROCK2 919/4885 |
| US-20210060000-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | HIF1AN, EGLN2, HIF1A | IMPDH2 463/4885CYP3A4 2535/4885ROCK2 903/4885 |
| US-20040254215-A1 | Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders | EPOR, HIF1AN, HIF1A | IMPDH2 1576/4885CYP3A4 740/4885ROCK2 945/4885 |
“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.