SCHEMBL1021932

SCHEMBL1021932

Nc1nc2c(c(-c3nccs3)n1)N=C[N]2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.50
ADORA1 P30542 11/20 0.50
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 5/20 0.35
ADORA2B P29275 5/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TGFBR1 P36897 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
PDPK1 O15530 1/20 0.32
ECE1 P42892 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL1023706 0.76 CHRM4 (0.35) ADORA2AADORA1HSP90AA1ADORA3ADORA2B
SCHEMBL2492626 0.75 HSP90AA1 (0.36) ADORA2AADORA1HSP90AA1ALDH1A1TSHR
SCHEMBL1023046 0.74 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1021507 0.74 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BNOS1
SCHEMBL1025479 0.70 TDP2 (0.41)
SCHEMBL11904112 0.69 ADORA2A (0.43) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL28211480 0.68 ADORA2A (0.59) ADORA2AADORA1HSP90AA1ADORA3ADORA2B
SCHEMBL3684455 0.67 ADORA2A (1.00) ADORA2AADORA1HSP90AA1ADORA3ADORA2B
SCHEMBL2498595 0.67 CYP17A1 (0.38) ADORA2AADORA1HSP90AA1TGFBR1LOXL2
SCHEMBL536979 0.65 DPP4 (0.33) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212014-B2 Artificial base pairs and uses thereof RIKEN (JP) 2012-07-03 US claimed
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 US claimed
US-20110087015-A1 Nucleoside and nucleotide having an unnatural base and use thereof RIKEN (JP) 2011-04-14 US claimed
EP-1921141-B1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF RIKEN (JP) 2011-01-12 EP 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-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
EP-4382603-A1 ARTIFICIAL NUCLEIC ACID FOR INDUCING SPECIFIC THREE-DIMENSIONAL STRUCTURE Sophia School Corporation (JP) 2024-06-12 EP disclosed
US-20240093282-A1 TARGET NUCLEIC ACID DETECTION DEVICE AND MANUFACTURING METHOD FOR SAME RICOH COMPANY, LTD. (JP) 2024-03-21 US disclosed
US-20230257423-A1 COMPOSITIONS FOR TREATING EPITHELIAL BARRIER FUNCTION DISORDERS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2023-08-17 US disclosed
US-20230242915-A1 SMALL INTERFERING DEOXYRIBONUCLEIC ACID (SIDNA) AGAINST METALLO-BETA LACTAMASE GENE Cheshmenooshi, Bahareh (IR) 2023-08-03 US disclosed
WO-2023112912-A1 CONJUGATE COMPOUND AND METHOD FOR PRODUCING CONJUGATE COMPOUND 株式会社日本触媒 2023-06-22 WO disclosed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP disclosed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 EP disclosed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 EP disclosed
WO-2005026187-A1 NUCLEOSIDE OR NUCLEOTIDE HAVING NONNATURAL BASE AND USE THEREOF RIKEN (JP) 2005-03-24 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 (4 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 889/4885ADORA1 1454/4885HSP90AA1 4193/4885
US-20100285598-A1 Novel Artificial Base Pairs and Uses Thereof POLRMT, RNGTT, POLN ADORA2A 1513/4885ADORA1 995/4885HSP90AA1 2196/4885
US-20230257423-A1 COMPOSITIONS FOR TREATING EPITHELIAL BARRIER FUNCTION DISORDERS FABP2, SLC10A2, VIP ADORA2A 3503/4885ADORA1 2659/4885HSP90AA1 2126/4885
US-20100323364-A1 MODIFIED tRNA CONTAINING UNNATURAL BASE AND USE THEREOF TRMT1, NSUN3, TARBP1 ADORA2A 1848/4885ADORA1 2219/4885HSP90AA1 1539/4885

“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.