SCHEMBL544517

SCHEMBL544517

Nc1snnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
TDO2 P48775 2/20 0.53
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
LMNA P02545 5/20 0.49
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL6003495 0.80 MKNK1 (0.47) MKNK1MKNK2TDO2KDM4EGAA
SCHEMBL30216493 0.79 MKNK1 (0.66) MKNK1MKNK2KDM4ELMNANPSR1
SCHEMBL2357769 0.78 L3MBTL1 (0.53) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL170710 0.76 TDO2 (0.61) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL30216497 0.75 MKNK1 (1.00) MKNK1MKNK2KMT2AMEN1
SCHEMBL3038829 0.74 KDM4E (0.50) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL12788076 0.74 LMNA (0.50) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL9168467 0.74 LMNA (0.50) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL19026193 0.74 NPSR1 (0.50) TDO2KDM4EGAAL3MBTL1LMNA
SCHEMBL367037 0.74 TDO2 (0.59) TDO2KDM4EGAAL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585583-A Non-peptide IAP (inhibitor of apoptosis protein) antagonist as well as synthetic method and application thereof UNIV GUANGDONG TECHNOLOGY 2016-05-18 CN claimed
CN-105566447-A Peptoid antagonist of anti-apoptosis protein and synthesis method and application of peptoid antagonist UNIV GUANGDONG TECHNOLOGY 2016-05-11 CN claimed
US-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same UNIV PENNSYLVANIA (US) 2025-09-25 US disclosed
WO-2025061058-A1 NOVEL COMPOUNDS AS IAP ANTAGONISTS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2025-03-27 WO disclosed
CN-119638702-A Novel compounds as IAP antagonists 苏州亚盛药业有限公司 2025-03-18 CN disclosed
EP-4408833-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME The Trustees of The University of Pennsylvania (US) 2024-08-07 EP disclosed
US-11963994-B2 Inhibitors of IAP GENENTECH, INC. (US) 2024-04-23 US disclosed
WO-2023049919-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-03-30 WO disclosed
US-20220211797-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2022-07-07 US disclosed
US-20220211797-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2022-07-07 US disclosed
CN-107915728-B IAP inhibitors 库里斯公司 2021-04-30 CN disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
EP-0031548-B1 PROCESS FOR PREPARING 5-AMINO-1,2,3-THIADIAZOLES UBE INDUSTRIES, LTD. (JP) 1983-03-23 EP disclosed
EP-0031548-A1 Process for preparing 5-amino-1,2,3-thiadiazoles UBE INDUSTRIES, LTD. (JP) 1981-07-08 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 (5 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-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same ITCH, EIF2AK2, TBK1 MKNK1 602/4885MKNK2 677/4885TDO2 3629/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 MKNK1 1831/4885MKNK2 2016/4885TDO2 4611/4885
US-20220211797-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 MKNK1 1378/4885MKNK2 1638/4885TDO2 4694/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP MKNK1 1345/4885MKNK2 1144/4885TDO2 3929/4885
US-11963994-B2 Inhibitors of IAP BIRC5, XIAP, BIRC3 MKNK1 1378/4885MKNK2 1638/4885TDO2 4694/4885

“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.