Isoquine

Isoquine

SCHEMBL5836418

CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 9/20 1.00
▸ CYP1A2 P05177 8/20 1.00
▸ CYP2C8 P10632 6/20 1.00
▸ CYP2C19 P33261 6/20 1.00
▸ KCNH2 Q12809 5/20 1.00
▸ CYP2C9 P11712 4/20 1.00
▸ CYP3A4 P08684 3/20 0.98
▸ APP P05067 5/20 0.86
▸ NR4A2 P43354 2/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ CHRM2 P08172 1/20 0.86
▸ HTR1A P08908 1/20 0.86
▸ CHRM1 P11229 1/20 0.86
▸ DRD2 P14416 1/20 0.86
▸ ADRA2C P18825 1/20 0.86
▸ SLC6A2 P23975 1/20 0.86
▸ PTGS2 P35354 1/20 0.86
▸ OPRM1 P35372 1/20 0.86
▸ HTR2B P41595 1/20 0.86
▸ CYP2J2 P51589 1/20 0.86

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
Isoquine SCHEMBL31672531 0.99 CYP3A4 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL29425350 0.93 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL29441086 0.93 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL44152 0.93 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL29430175 0.92 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL317888 0.92 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL29788983 0.92 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL12094969 0.92 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL1491204 0.91 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
Amodiaquine SCHEMBL284774 0.91 CYP2D6 (0.96) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841109-B1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA AS (DK) 2026-04-15 — — EP disclosed
EP-4698662-A2 REGULATABLE CONTROLLED EXPRESSION OF A TRANSGENE IN PRIMATES AskBio Inc. (US) 2026-02-25 — — EP disclosed
EP-3782649-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2025-05-14 — — EP disclosed
WO-2025085979-A1 PAN-SPECIFIC MALARIA BINDING POLYPEPTIDES ADALTA LIMITED (AU) 2025-05-01 — — WO disclosed
WO-2024220449-A9 REGULATABLE CONTROLLED EXPRESSION OF A TRANSGENE IN PRIMATES AskBio Inc. (US) 2025-04-03 — — WO disclosed
WO-2024220449-A2 REGULATABLE CONTROLLED EXPRESSION OF A TRANSGENE IN PRIMATES ASKLEPIOS BIOPHARMACEUTICAL, INC. (US) 2024-10-24 — — WO disclosed
US-12049494-B2 Compositions and methods for detection of malaria biomarkers THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-30 — — US disclosed
WO-2024016639-A1 ANTI-VIRAL-INFECTION COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 华创合成制药股份有限公司 2024-01-25 — — WO disclosed
CN-111217811-B Fused tricyclic compounds and application thereof in medicines 广东东阳光药业股份有限公司 2024-01-16 — — CN disclosed
WO-2024008048-A1 NOVEL PYRIMIDINE OR TRIAZINE-SUBSTITUTED PYRIDOHETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2024-01-11 — — WO disclosed
CN-109432440-B Praziquantel hydroxypropyl cyclodextrin inclusion compound and preparation method and application thereof 佛山科学技术学院 2022-04-26 — — CN disclosed
WO-2019173482-A1 4-AMINOQUINOLINE COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Sanford Burnham Prebys Medical Discovery Institute (US) 2019-09-12 — — WO disclosed
US-20090298868-A1 QUINOLINE COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF ORLOW SETH J 2009-12-03 — — US disclosed
WO-2009064492-A1 QUINOLINE COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-05-22 — — WO disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 — — US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 — — US disclosed
US-7132431-B2 Anti-malarial compounds THE UNIVERSITY OF LIVERPOOL (GB) 2006-11-07 — — US disclosed
US-20040152729-A1 Anti-malarial compounds THE LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2004-08-05 — — US disclosed
EP-1368321-A1 ANTI-MALARIAL COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2003-12-10 — — EP disclosed
WO-2002072554-A1 ANTI-MALARIAL COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2002-09-19 — — 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 (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-20090298868-A1 QUINOLINE COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF TYR, MITF, MC1R CYP2D6 473/4885CYP1A2 172/4885CYP2C8 1197/4885
US-20040152729-A1 Anti-malarial compounds HMBS, MEP1A, QDPR CYP2D6 367/4885CYP1A2 277/4885CYP2C8 363/4885

“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.

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