SCHEMBL20039923

SCHEMBL20039923

CCOC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.67
THRB P10828 11/20 0.67
EGLN1 Q9GZT9 8/20 0.67
BBOX1 O75936 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
ASPH Q12797 1/20 0.67
KDM8 Q8N371 1/20 0.67
FTO Q9C0B1 1/20 0.67
EGLN2 Q96KS0 2/20 0.65
PTGS2 P35354 2/20 0.52
SCN9A Q15858 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL22441916 0.99 THRA (0.66) THRATHRBEGLN1BBOX1SLC6A2
Sulfuric Acid SCHEMBL22441927 0.96 THRA (0.62) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL31296198 0.92 EGLN1 (0.64) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL28624477 0.92 EGLN1 (0.64) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL31296196 0.91 EGLN1 (0.62) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL523175 0.91 EGLN1 (0.62) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL28488469 0.90 EGLN1 (0.64) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL22958815 0.89 EGLN1 (0.56) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL22441931 0.89 THRA (0.56) THRATHRBEGLN1BBOX1SLC6A2
SCHEMBL22441911 0.88 THRA (0.65) THRATHRBEGLN1BBOX1SLC6A2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300073-B Preparation method of isoquinoline derivative 江西同和药业股份有限公司 2023-09-29 CN claimed
CN-119320350-A Preparation method of roflumilast intermediate 浙江工业大学 2025-01-17 CN disclosed
WO-2025001086-A1 SYNTHESIS METHOD FOR ROXADUSTAT INTERMEDIATE 江苏海洋大学 2025-01-02 WO disclosed
CN-113754569-B Intermediate compound and preparation method and application thereof 四川国为制药有限公司 2024-07-02 CN disclosed
CN-117946003-A Roflumilast intermediate and preparation method thereof 成都倍特药业股份有限公司 2024-04-30 CN disclosed
CN-116803986-B Synthesis method of roflumilast intermediate 江苏海洋大学 2024-02-06 CN disclosed
US-20240018109-A1 METHOD FOR SYNTHESIS OF ROXADUSTAT AND INTERMEDIATE THEREOF, AND INTERMEDIATE THEREOF JUMPCAN (SHANGHAI) MEDICAL TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20240018109-A1 METHOD FOR SYNTHESIS OF ROXADUSTAT AND INTERMEDIATE THEREOF, AND INTERMEDIATE THEREOF JUMPCAN (SHANGHAI) MEDICAL TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
CN-116903532-A Preparation method of roflumilast 珠海优润医药科技有限公司 2023-10-20 CN disclosed
CN-112300073-B Preparation method of isoquinoline derivative 江西同和药业股份有限公司 2023-09-29 CN disclosed
EP-3717456-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES Dr. Reddy's Laboratories Limited (IN) 2020-10-07 EP disclosed
US-20200299242-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2020-09-24 US disclosed
US-20200299242-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2020-09-24 US disclosed
US-20200299242-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2020-09-24 US disclosed
CN-111592490-A Preparation method of key intermediate of roxasistat 浙江工业大学 2020-08-28 CN disclosed
CN-111566090-A Preparation method of roxasistat and intermediate thereof 雷迪博士实验室有限公司 2020-08-21 CN disclosed
CN-111566090-A Preparation method of roxasistat and intermediate thereof 雷迪博士实验室有限公司 2020-08-21 CN disclosed
EP-3305769-B1 METHOD FOR PREPARATION OF (7-PHENOXY-4-HYDROXY-1-METHYL-ISOQUINOLINE-3-CARBONYL)-GLYCINE (ROXEDUSTAT) AND ITS INTERMEDIATES BASED ON SIMULTANEOUS OPENING OF OXAZOLIC RING, FISSION OF ETHER AND CREATION OF IMINE ZENTIVA KS (CZ) 2019-06-26 EP disclosed
WO-2019106621-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2019-06-06 WO disclosed
EP-3305769-A1 METHOD FOR PREPARATION OF (7-PHENOXY-4-HYDROXY-1-METHYL-ISOQUINOLINE-3-CARBONYL)-GLYCINE (ROXEDUSTAT) AND ITS INTERMEDIATES BASED ON SIMULTANEOUS OPENING OF OXAZOLIC RING, FISSION OF ETHER AND CREATION OF IMINE Zentiva K.S. (CZ) 2018-04-11 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200299242-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES CYP3A7, CYP3A4, CYP3A5 THRA 4004/4885THRB 4557/4885EGLN1 86/4885
US-20240018109-A1 METHOD FOR SYNTHESIS OF ROXADUSTAT AND INTERMEDIATE THEREOF, AND INTERMEDIATE THEREOF SRM, SMS, SMOX THRA 3024/4885THRB 4259/4885EGLN1 914/4885

“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.