SCHEMBL539008

SCHEMBL539008

Clc1ncc2[nH]c(Cl)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Purine SCHEMBL25254163 0.80 KDM4E (0.59) KDM4ETYRO3DYRK1B
SCHEMBL1551964 0.79 PDK2 (0.36) KDM4ETYRO3DYRK1BNPC1RAB9A
SCHEMBL15718879 0.79 KDM4E (0.50) KDM4ETYRO3DYRK1B
SCHEMBL3963582 0.79 KDM4E (0.50) KDM4ETYRO3DYRK1BCSNK1A1CLK4
SCHEMBL1551962 0.79 KDM4E (0.50) KDM4ETYRO3DYRK1BHTT
SCHEMBL369014 0.79 KDM4E (0.50) KDM4ETYRO3DYRK1B
SCHEMBL15571871 0.75 KDM4E (0.46) KDM4ETYRO3DYRK1BNPC1RAB9A
SCHEMBL15570735 0.72 KDM4E (0.43) KDM4ETYRO3DYRK1B
SCHEMBL2885131 0.72 HPGDS (0.41) NPC1RAB9A
Hydrochloric Acid SCHEMBL4982877 0.71 METAP2 (0.46) KDM4ENPC1RAB9AHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO claimed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US claimed
US-7419965-B2 Nucleotide lipid ester derivatives HEIDELBERG PHARMA AG (DE) 2008-09-02 US claimed
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2007-05-17 US claimed
US-20060293514-A1 Nucleotide lipid ester derivatives HEIDELBERG PHARMA AG (DE) 2006-12-28 US claimed
CN-1771253-A Nucleotide lipid ester derivatives HEIDELBERG PHARMA GMBH (DE) 2006-05-10 CN claimed
EP-1606233-A2 NUCLEOTIDE LIPID ESTER DERIVATIVES Heidelberg Pharma GmbH (DE) 2005-12-21 EP claimed
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-06-16 US claimed
WO-2004083155-A2 NUCLEOTIDE LIPID ESTER DERIVATIVES HEIDELBERG PHARMA GMBH (DE) 2004-09-30 WO claimed
EP-1172365-B1 Process for preparing 2,6-dichloropurine SUMIKA FINE CHEMICALS CO LTD (JP) 2004-03-17 EP claimed
US-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication SOUTHERN RESEARCH INSTITUTE 2003-07-31 US claimed
WO-2001066118-A1 4'-THIO-L-XYLO FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2001-09-13 WO claimed
US-20250367649-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2025-12-04 US disclosed
US-12391694-B2 Process for the preparation of 2-fluoroadenine MERCK SHARP & DOHME LLC 2025-08-19 US disclosed
WO-2025090871-A1 ELECTROPHILIC PURINE COMPOUNDS FOR MODIFICATION OF PROTEINS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-05-01 WO disclosed
EP-4472962-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF The Royal Institution for the Advancement of Learning / McGill University (CA) 2024-12-11 EP disclosed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 WO disclosed
US-4853386-A INHIBITORS OF SRS-A(SLOW REACTING SUBSTANCE OF ANAPHYLAXIS) FROM LUNG TISSUES BOEHRINGER MANNHEIM GMBH (DE) 1989-08-01 US disclosed
EP-0072027-B1 ANTIVIRAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-18 EP disclosed
EP-0072027-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-02-16 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 (7 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-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication POLL, PCNA, YWHAZ KDM4E 1895/4885TYRO3 1599/4885DYRK1B 3425/4885
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD KDM4E 1603/4885TYRO3 716/4885DYRK1B 977/4885
US-20060293514-A1 Nucleotide lipid ester derivatives NTPCR, ABHD16A, ABCB4 KDM4E 2235/4885TYRO3 3878/4885DYRK1B 4717/4885
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF POLL, PNP, UNG KDM4E 1089/4885TYRO3 1037/4885DYRK1B 2234/4885
US-20250367649-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF PPOX, AOX1, CYP3A7 KDM4E 1365/4885TYRO3 283/4885DYRK1B 4185/4885
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof POLL, PNP, UNG KDM4E 1089/4885TYRO3 1037/4885DYRK1B 2234/4885
US-12391694-B2 Process for the preparation of 2-fluoroadenine DCTD, AMPD2, CDA KDM4E 1707/4885TYRO3 4622/4885DYRK1B 4067/4885

“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.