SCHEMBL3437075

SCHEMBL3437075

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
ALB P02768 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.41
DNMT1 P26358 3/20 0.37
CACNA1F O60840 2/20 0.37
MAPT P10636 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
PDE3A Q14432 2/20 0.37
ADRB1 P08588 1/20 0.37
TK1 P04183 1/20 0.34

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
SCHEMBL31488686 1.00 ABL1 (0.46) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL9803735 0.87 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL20633178 0.86 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL5953796 0.86 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL5953793 0.86 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL14389424 0.86 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL3451324 0.86 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL24695854 0.85 ALB (0.63) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL10379562 0.85 ABL1 (0.46) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL396634 0.85 ALB (0.63) ABL1RIN1ALBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195494-A1 COMPOSITIONS AND METHODS FOR SYNTHESIS OF PHOSPHORYLATED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-10 WO claimed
US-7598230-B2 For the treatment of viral infections, microbial infections, and proliferative disorders; contain di- or triphosphate moeity mimetics, such as those containing boron anions BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-10-06 US claimed
US-20070259832-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-08 US claimed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP claimed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO claimed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US claimed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO claimed
US-4968788-A DRUG DELIVERY, ANTITUMOR AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-11-06 US claimed
WO-1990008155-A1 BIOLOGICALLY REVERSIBLE PHOSPHATE AND PHOSPHONATE PROTECTIVE GROUPS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-07-26 WO claimed
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-02 US disclosed
WO-2021102367-A1 ENGINEERED DNA FOR MOLECULAR ELECTRONICS UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2021-05-27 WO disclosed
WO-2019195494-A1 COMPOSITIONS AND METHODS FOR SYNTHESIS OF PHOSPHORYLATED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-10 WO disclosed
EP-3053585-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF Moderna Therapeutics, Inc. (US) 2016-08-10 EP disclosed
WO-2015196118-A1 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
US-5306618-A Using xanthene dye reporter labeled DNA fragments E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-26 US disclosed
US-5242796-A Fluorescent xanthene dye E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-07 US disclosed
US-5151507-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-29 US disclosed
US-5102785-A Cleaving to produce DNA fragment which are then end labeled with reporter, again cleaved to produce short fragment, separatiion; analysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
US-5047519-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-10 US disclosed
EP-0309969-A2 Method of gene mapping E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-05 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 (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-20070259832-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ABL1 1427/4885RIN1 1545/4885ALB 4137/4885
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP ABL1 387/4885RIN1 4425/4885ALB 2637/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ABL1 1427/4885RIN1 1545/4885ALB 4137/4885

“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.