SCHEMBL2117609

SCHEMBL2117609

OC[C@H]1O[C@@H](n2cnc3c2=NCN2C=CNC=32)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
ADRB1 P08588 1/20 0.45
DNMT1 P26358 1/20 0.45
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PNP P00491 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL1429148 0.84 ADA (0.46) ADAADORA3ADORA2AADORA1DNMT1
Hydrochloric Acid SCHEMBL5928106 0.83 ADA (0.45) ADAADORA3ADORA2AADORA1DNMT1
SCHEMBL19458230 0.81 POLB (0.45)
SCHEMBL7078561 0.77 ADA (0.35) ADAADORA3ADORA2AADORA1DNMT1
SCHEMBL16348683 0.76 PIM1 (0.48) ADAADORA3ADORA2AADORA1PIM1
SCHEMBL2216449 0.75 ADRB1 (0.53) ADAADORA3ADORA2AADORA1PIM1
SCHEMBL8840703 0.75 PIM1 (0.47) ADAADORA3ADORA2AADORA1PIM1
SCHEMBL6910667 0.75 ADRB1 (0.53) ADAADORA3ADORA2AADORA1PIM1
Iodide SCHEMBL8840690 0.74 ADRB1 (0.52) ADAADORA3ADORA2AADORA1PIM1
SCHEMBL2919342 0.74 ATIC (0.49) ADORA1SMN1; SMN2PDE4DPDE3A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767842-B1 METHODS OF SCREENING FOR NUCLEOSIDE ANALOGS THAT ARE INCORPORATED BY HIV REVERSE TRANSCRIPTASE AND CAUSE INCORRECT BASE PAIRING UNIV WASHINGTON (US) 2000-09-27 EP claimed
EP-1004675-A2 Methods of screening for nucleoside analogs that are incorporated by HIV reverse transcriptase and cause incorrect base pairing DARWIN MOLECULAR CORPORATION (US) 2000-05-31 EP claimed
US-20240376538-A1 PRETREATMENT METHOD FOR DNA ADDUCTOMICS SAMPLES NATIONAL INSTITUTES OF HEALTH 2024-11-14 US disclosed
US-12054768-B2 Methods for detecting agglutination and compositions for use in practicing the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-08-06 US disclosed
EP-4123031-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME The Regents of The University of California (US) 2023-01-25 EP disclosed
EP-3283638-B1 METHODS FOR DETECTING AGGLUTINATION AND USE OF KITS IN PRACTICING THE SAME UNIV CALIFORNIA (US) 2022-06-08 EP disclosed
US-20210403978-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-30 US disclosed
US-11149296-B2 Methods for detecting agglutination and compositions for use in practicing the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 US disclosed
US-20200232005-A1 Methods of Producing and Using Single-Stranded Deoxyribonucleic Acids and Compositions for Use in Practicing the Same TAKARA BIO USA, INC. 2020-07-23 US disclosed
US-10584363-B2 Methods of producing and using single-stranded deoxyribonucleic acids and compositions for use in practicing the same TAKARA BIO USA, INC. (US) 2020-03-10 US disclosed
US-20180100181-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-12 US disclosed
EP-3283638-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME The Regents of The University of California (US) 2018-02-21 EP disclosed
US-20170349927-A1 METHODS OF PRODUCING AND USING SINGLE-STRANDED DEOXYRIBONUCLEIC ACIDS AND COMPOSITIONS FOR USE IN PRACTICING THE SAME TAKARA BIO USA, INC. 2017-12-07 US disclosed
WO-2016168711-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-20 WO disclosed
US-8822146-B2 Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases VILNIUS UNIVERSITY (LT) 2014-09-02 US disclosed
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP disclosed
US-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2012-04-19 US 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 (1 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-20120094280-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES EZH1, DOHH, BHMT2 ADA 782/4885ADORA3 2157/4885ADORA2A 1866/4885

“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.