SCHEMBL434034

SCHEMBL434034

C=Cn1cnc2cncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LTA4H P09960 1/20 0.38
CYP1A2 P05177 6/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 5/20 0.34
LMNA P02545 4/20 0.34
CYP2C19 P33261 4/20 0.34
TSHR P16473 4/20 0.34
CYP2C9 P11712 4/20 0.34
MEN1 O00255 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 2/20 0.34
MKNK2 Q9HBH9 1/20 0.34
USP2 O75604 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CLK4 Q9HAZ1 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL28041939 0.82 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6007639 0.80 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2451018 0.80 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL1079073 0.78 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL4129648 0.75 DPP4 (0.38) FDPS
SCHEMBL27566007 0.75 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10857669 0.74 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28817988 0.74 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL4859275 0.74 FDPS (0.37) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10726415 0.74 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP claimed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US claimed
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2018-06-14 US claimed
EP-3131914-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV Idenix Pharmaceuticals LLC (US) 2017-02-22 EP claimed
EP-1292603-B1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC (US) 2017-02-22 EP claimed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US claimed
EP-3083654-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV Idenix Pharmaceuticals LLC (US) 2016-10-26 EP claimed
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2016-09-29 US claimed
US-9192621-B2 Esters and malonates of SATE prodrugs IDENIX PHARMACEUTICALS LLC (US) 2015-11-24 US claimed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO claimed
US-20050137161-A1 Methods and compositions for treating hepatitis C virus IDENIX PHARMACEUTICALS LLC 2005-06-23 US claimed
US-6855821-B2 Processes for preparing 1,3-dioxolane nucleosides PHARMASSET, LTD. (US) 2005-02-15 US claimed
US-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region IDENIX PHARMACEUTICALS LLC 2005-02-10 US claimed
US-20040254141-A1 2'-Fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-16 US claimed
US-20040181051-A1 Process for the production of 3'-nucleoside prodrugs STORER RICHARD (GB) 2004-09-16 US claimed
WO-2004058792-A1 PROCESS FOR THE PRODUCTION OF 3'-NUCLEOSIDE PRODRUGS IDENIX (CAYMAN) LIMITED (KY) 2004-07-15 WO claimed
WO-2004046331-A2 2’-BRANCHED NUCLEOSIDES AND FLAVIVIRIDAE MUTATION IDENIX (CAYMAN) LIMITED (KY) 2004-06-03 WO claimed
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides PHARMASSET, INC. 2004-05-06 US claimed
WO-1992017485-A1 PREPARATION OF 3'-SUBSTITUTED-2',3'-DIDEOXYNUCLEOSIDES AND 2'-DEOXYNUCLEOSIDES FROM ACYCLIC, ACHIRAL PRECURSORS EMORY UNIVERSITY (US) 1992-10-15 WO claimed
WO-1992010496-A1 ENANTIOMERICALLY PURE β-L-(-)-1,3-OXATHIOLANE NUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-06-25 WO claimed

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-20050031588-A1 With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region PNP, NSUN2, RNGTT FDPS 923/4885HDAC1 4414/4885HDAC6 3805/4885
US-20050137161-A1 Methods and compositions for treating hepatitis C virus HAVCR2, HCCS, PYGL FDPS 1831/4885HDAC1 1219/4885HDAC6 828/4885
US-20040254141-A1 2'-Fluoronucleosides NSUN2, PNP, FDPS FDPS 3/4885HDAC1 2599/4885HDAC6 3946/4885
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV ZC3HAV1, HAVCR2, NSUN2 FDPS 947/4885HDAC1 3425/4885HDAC6 2600/4885
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides NUDT1, PNP, DPYD FDPS 276/4885HDAC1 4387/4885HDAC6 4717/4885
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 FDPS 3013/4885HDAC1 3016/4885HDAC6 2536/4885
US-20040181051-A1 Process for the production of 3'-nucleoside prodrugs PNP, GART, UMPS FDPS 114/4885HDAC1 1362/4885HDAC6 830/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 FDPS 2970/4885HDAC1 3021/4885HDAC6 2467/4885
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV NSUN2, NSUN3, ZC3HAV1 FDPS 1310/4885HDAC1 1315/4885HDAC6 606/4885

“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.