SCHEMBL1992849

SCHEMBL1992849

C=C1CCC(O)(n2cnc3c(=O)[nH]c(N)nc32)C1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
TK1 P04183 2/20 0.44
PNP P00491 4/20 0.43
BLM P54132 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
VCP P55072 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL30694421 1.00 ADORA3 (0.46) ADORA3TK1PNPBLMUSP2
SCHEMBL21758917 0.76 ADORA3 (0.49) ADORA3TK1PNPBLMUSP2
SCHEMBL22968444 0.76 ADORA3 (0.47) ADORA3TK1PNPBLMUSP2
SCHEMBL20154871 0.76 ADORA3 (0.47) ADORA3TK1PNPBLMUSP2
SCHEMBL8104279 0.74 PNP (0.47) ADORA3TK1PNPBLMUSP2
SCHEMBL2514560 0.74 TK1 (0.48) ADORA3TK1PNPBLMUSP2
SCHEMBL8537402 0.73 ADORA3 (0.48) ADORA3TK1PNPBLMUSP2
SCHEMBL24102764 0.72 ADORA3 (0.47) ADORA3TK1PNPBLMUSP2
SCHEMBL30697779 0.72 TK1 (0.46) ADORA3TK1PNPBLMUSP2
SCHEMBL9667894 0.71 ADORA3 (0.46) ADORA3TK1PNPBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 US claimed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 US claimed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US claimed
EP-2509990-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-17 EP disclosed
US-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-09-27 US disclosed
WO-2011069688-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-06-16 WO disclosed
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 US disclosed
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 disclosed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 US disclosed
US-20070259832-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-08 US disclosed
US-7285658-B2 Nucleotide mimics and their prodrugs BIOTA, INC. (US) 2007-10-23 US disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 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 (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-20070259832-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ADORA3 95/4885TK1 62/4885PNP 4/4885
US-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ADORA3 95/4885TK1 62/4885PNP 4/4885
US-20120245029-A1 NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS TYMP, PNP, MTAP ADORA3 100/4885TK1 18/4885PNP 2/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ADORA3 95/4885TK1 62/4885PNP 4/4885

“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.