Sugi Predict

Sugi Predict / Compounds / SCHEMBL689592

SCHEMBL689592

SCHEMBL689592

O=C(O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ KMO O15229 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ P4HTM Q9NXG6 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL4676112 0.86 MAPT (0.38) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL23531974 0.86 MAPT (0.38) CYP11B1CYP11B2KMT2ASMN1; SMN2LMNA
SCHEMBL687803 0.82 NOTUM (0.44) KMT2ASMN1; SMN2TP53KDM4ETSHR
SCHEMBL29713688 0.82 MAPT (0.39) SMN1; SMN2TP53KDM4EMAPT
SCHEMBL2877298 0.79 CYP11B1 (0.40) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL1562700 0.79 MAPT (0.45) SMN1; SMN2TP53KDM4ETSHRALDH1A1
Phosphonic Acid SCHEMBL9541638 0.78 RIPK1 (0.36) KMT2ASMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL23567092 0.78 MLYCD (0.36) KMT2ASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL7969401 0.77 AKR1B1 (0.36) CYP11B1CYP11B2KMT2ACYP1A2LMNA
SCHEMBL9541630 0.77 CTNNB1 (0.34) KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
CN-114846004-B Antimalarial drugs 德克萨斯大学系统董事会 2024-10-11 — — CN disclosed
US-11903936-B2 Anti-malarial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 — — US disclosed
EP-4077308-B1 ANTI-MALARIAL AGENTS UNIV TEXAS (US) 2024-02-14 — — EP disclosed
US-20230056202-A1 ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2023-02-23 — — US disclosed
EP-4077308-A1 ANTI-MALARIAL AGENTS The Board of Regents of the University of Texas System (US) 2022-10-26 — — EP disclosed
CN-114846004-A Novel antimalarial drug 德克萨斯大学系统董事会 2022-08-02 — — CN disclosed
EP-3842100-A1 ANTI-MALARIAL AGENTS The Board Of Regents Of The University Of Texas System (US) 2021-06-30 — — EP disclosed
WO-2021123266-A1 ANTI-MALARIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-24 — — WO disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 — — US disclosed
CN-1659168-A Amide-substituted xanthine derivatives having gluconeogenesis modulating activity HOFFMANN LA ROCHE (CH) 2005-08-24 — — CN disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 — — EP disclosed
CN-1142909-C Indole derivatives with antiviral activity ��Ұ����ҩ��ʽ���� 2004-03-24 — — CN disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 — — US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 — — WO disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 — — US disclosed
CN-1446213-A Medicinal compositions containing propenone derivatives SHIONOGI & CO (JP) 2003-10-01 — — CN disclosed
CN-1294580-A Indole derivatives with antiviral activity SHIONOGI & CO (JP) 2001-05-09 — — CN 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 (3 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL CYP11B1 33/4885CYP11B2 41/4885KMT2A 2893/4885
US-11903936-B2 Anti-malarial agents PYCR1, DHFR, QDPR CYP11B1 197/4885CYP11B2 166/4885KMT2A 2112/4885
US-20230056202-A1 ANTI-MALARIAL AGENTS PYCR1, DHFR, QDPR CYP11B1 197/4885CYP11B2 166/4885KMT2A 2112/4885

“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.