SCHEMBL463396

SCHEMBL463396

C=CCn1cnc2c(S)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADORA2A P29274 5/20 0.48
AHCY P23526 8/20 0.43
ADORA1 P30542 4/20 0.39
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2B P29275 3/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL1798270 0.80 ADORA2A (0.72) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL6288387 0.80 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2ADORA2A
SCHEMBL2116000 0.77 ADORA2A (0.64) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL7057757 0.76 CCNE1 (0.45) NPC1HPGDRAB9ASMN1; SMN2ADORA2A
SCHEMBL11033550 0.76 ADORA2A (0.45) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL11269779 0.75 ADORA2A (0.66) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL3210897 0.73 ADORA2A (0.35) NPC1HPGDRAB9ASMN1; SMN2ADORA2A
SCHEMBL10387483 0.72 ADORA2A (0.45) SMN1; SMN2ADORA2AAHCYADORA1PI4KA
SCHEMBL2115918 0.72 ADORA2A (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7359074 0.72 HTR2C (0.66) NPC1HPGDRAB9ASMN1; SMN2ADORA2A

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 867 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
EP-1534255-A2 PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES Pharmasset, Inc. (US) 2005-06-01 EP 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-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-2004028445-A2 PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES PHARMASSET INC. (US) 2004-04-08 WO claimed
US-6518425-B1 A process for producing a 1,3-oxathiolane nucleoside comprising reacting a 5-halo-2-protected-oxymethyl-1,3-oxathiolane with a silylated purine or pyrimidine without the addition of a Lewis acid or an additional base to the reaction EMORY UNIVERSITY 2003-02-11 US claimed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 US 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 NPC1 3830/4885HPGD 3265/4885RAB9A 2571/4885
US-20040254141-A1 2'-Fluoronucleosides NSUN2, PNP, FDPS NPC1 5/4885HPGD 4005/4885RAB9A 2165/4885
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV ZC3HAV1, HAVCR2, NSUN2 NPC1 725/4885HPGD 3002/4885RAB9A 2580/4885
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides NUDT1, PNP, DPYD NPC1 1062/4885HPGD 1026/4885RAB9A 1956/4885
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 NPC1 1007/4885HPGD 3335/4885RAB9A 1402/4885
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 NPC1 2493/4885HPGD 4495/4885RAB9A 1263/4885
US-20040181051-A1 Process for the production of 3'-nucleoside prodrugs PNP, GART, UMPS NPC1 956/4885HPGD 1601/4885RAB9A 2172/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 NPC1 2439/4885HPGD 4488/4885RAB9A 1225/4885
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV NSUN2, NSUN3, ZC3HAV1 NPC1 753/4885HPGD 3963/4885RAB9A 1754/4885

“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.