Ibacitabine

Ibacitabine

SCHEMBL887475

Nc1nc(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1I

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.63
ADRB1 P08588 1/20 0.63
TK1 P04183 2/20 0.60
DNMT3B Q9UBC3 2/20 0.54
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PNP P00491 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FPR2 P25090 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
Ibacitabine SCHEMBL5981937 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL21423094 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL225403 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL5981939 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL13812993 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL225402 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
Ibacitabine SCHEMBL244921 1.00 DNMT1 (0.63) DNMT1ADRB1TK1DNMT3BLMNA
SCHEMBL1635378 0.91 DNMT1 (0.52) DNMT1ADRB1TK1DNMT3BFPR2
SCHEMBL1635376 0.91 DNMT1 (0.52) DNMT1ADRB1TK1DNMT3BFPR2
Ibacitabine SCHEMBL9710365 0.91 DNMT1 (0.54) DNMT1ADRB1TK1DNMT3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-16 US disclosed
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-16 US disclosed
US-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-08-10 US disclosed
US-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-04 US disclosed
US-10669538-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2020-06-02 US disclosed
WO-2019227526-A1 FLUORESCENTLY LABELLED NUCLEOTIDE AND PREPARATION METHOD AND USE THEREOF 苏州百源基因技术有限公司 (CN) 2019-12-05 WO disclosed
WO-2019010441-A1 EVOLUTION BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 WO disclosed
WO-2018143893-A1 IDOXURIDINE AND ITS ANALOGS AS NEUROPROTECTANS FOR THE TREATMENT OF PARKINSONISM SVENNINGSSON PER (SE) 2018-08-09 WO disclosed
US-10000801-B2 Four-color DNA sequencing by synthesis using cleavable fluorescent nucleotide reversible terminators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-19 US disclosed
US-8193335-B2 Click chemistry for the production of reporter molecules BASECLICK GMBH (DE) 2012-06-05 US disclosed
US-8105770-B2 Method of detecting amplification or deletion in genomic DNA Fragment WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-31 US disclosed
US-7883869-B2 for sequencing single-stranded DNA by employing a nanopore and modified nucleotides THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-08 US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed
US-20100112711-A1 METHOD OF DETECTING AMPLIFICATION OR DELETION IN GENOMIC DNA FRAGMENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-06 US disclosed
US-20100092952-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed
US-20100081137-A1 Click Chemistry for the Production of Reporter Molecules BASECLICK GMBH (DE) 2010-04-01 US disclosed
US-20100016177-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2010-01-21 US disclosed
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 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 (9 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-20090069546-A1 PYRAZOLE-BASED CYANINE DYE CBR3, CYB5R3, TST DNMT1 3683/4885ADRB1 1209/4885TK1 3542/4885
US-20100112711-A1 METHOD OF DETECTING AMPLIFICATION OR DELETION IN GENOMIC DNA FRAGMENT GLB1, GDA, DNTT DNMT1 199/4885ADRB1 4446/4885TK1 7/4885
US-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PCSK9, IL6, PCSK6 DNMT1 473/4885ADRB1 4715/4885TK1 1078/4885
US-20100016177-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES INTS6, ABL1, INMT DNMT1 319/4885ADRB1 4209/4885TK1 772/4885
US-20100081137-A1 Click Chemistry for the Production of Reporter Molecules DNTT, RNGTT, NSUN3 DNMT1 552/4885ADRB1 4572/4885TK1 313/4885
US-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis POLRMT, RNGTT, MTR DNMT1 86/4885ADRB1 4821/4885TK1 78/4885
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PCSK9, IL6, PCSK6 DNMT1 473/4885ADRB1 4715/4885TK1 1078/4885
US-10669538-B2 Templated molecules and methods for using such molecules ABL1, DHFR, TYMS DNMT1 551/4885ADRB1 4795/4885TK1 503/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 DNMT1 303/4885ADRB1 3502/4885TK1 98/4885

“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.