SCHEMBL1023046

SCHEMBL1023046

Nc1nc2c(c(-c3cccs3)n1)N=C[N]2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
DHFR P00374 1/20 0.48
ADORA1 P30542 4/20 0.47
ADORA2B P29275 2/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11904112 0.90 ADORA2A (0.43) ADORA2ADHFRADORA1ADORA2BMEN1
SCHEMBL1033845 0.77 NPC1 (0.43) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL1023476 0.76 RPS6KB2 (0.37) ADORA2ADHFRADORA1MEN1KMT2A
SCHEMBL1023547 0.75 MAPT (0.44) MEN1KMT2ANPC1HSD17B10ALDH1A1
SCHEMBL1021932 0.74 ADORA2A (0.50) ADORA2AADORA1ADORA2BHSD17B10ALDH1A1
SCHEMBL1025479 0.74 TDP2 (0.41)
SCHEMBL20392667 0.67 ADORA2A (0.53) ADORA2ADHFRADORA1ADORA2BMEN1
SCHEMBL2497304 0.67 KDM4E (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL27537438 0.67 ADORA2A (0.53) ADORA2ADHFRADORA1ADORA2BMEN1
SCHEMBL4011784 0.66 HSD17B10 (0.52) ADORA2ADHFRADORA1ADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315926-A1 An Aptamer for Dengue Virus and Related Methods and Products AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-10-06 US claimed
EP-3987035-A1 AN APTAMER FOR DENGUE VIRUS AND RELATED METHODS AND PRODUCTS Agency for Science, Technology and Research (SG) 2022-04-27 EP claimed
EP-3918091-A1 METHOD OF SEQUENCING NUCLEIC ACID WITH UNNATURAL BASE PAIRS Agency for Science, Technology and Research (SG) 2021-12-08 EP claimed
CN-113518830-A Method for sequencing nucleic acids with unnatural base pairing 新加坡科技研究局 2021-10-19 CN claimed
WO-2020256639-A1 AN APTAMER FOR DENGUE VIRUS AND RELATED METHODS AND PRODUCTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-24 WO claimed
WO-2020159435-A1 METHOD OF SEQUENCING NUCLEIC ACID WITH UNNATURAL BASE PAIRS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-08-06 WO claimed
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US claimed
EP-1544294-B1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF RIKEN (JP) 2013-04-10 EP claimed
EP-2562255-A1 NUCLEIC ACID BASE ANALOG WITH QUENCHING CHARACTERISTICS AND FLUORESCENCE AND APPLICATION THEREOF Riken (JP) 2013-02-27 EP claimed
US-8212014-B2 Artificial base pairs and uses thereof RIKEN (JP) 2012-07-03 US claimed
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2010-12-23 US claimed
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof RIKEN (JP) 2010-11-11 US claimed
EP-2246428-A1 MODIFIED TRNA CONTAINING NON-NATURAL NUCLEOTIDE AND USE THEREOF The University of Tokyo (JP) 2010-11-03 EP claimed
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US claimed
US-7667031-B2 Nucleic acid base pair JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-23 US claimed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US claimed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 EP claimed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 EP claimed
US-20060263771-A1 Nucleoside or nucleotides having novel unnatural bases and utilization of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-11-23 US claimed
EP-1544294-A1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF Riken (JP) 2005-06-22 EP claimed

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-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof DUT, NT5C3B, NT5C ADORA2A 889/4885DHFR 24/4885ADORA1 1454/4885
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof POLRMT, RNGTT, POLN ADORA2A 1513/4885DHFR 396/4885ADORA1 995/4885
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF TRMT1, NSUN3, TARBP1 ADORA2A 1848/4885DHFR 850/4885ADORA1 2219/4885

“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.