SCHEMBL12149795

SCHEMBL12149795

Cc1nc(C)n(C)c(=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.41
NPC1 O15118 3/20 0.41
ABL1 P00519 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
GALK1 P51570 3/20 0.41
BLM P54132 3/20 0.41
RIN1 Q13671 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP2 O95551 3/20 0.41
KDM4A O75164 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
MPI P34949 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
APAF1 O14727 1/20 0.41
S1PR2 O95136 1/20 0.41

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
SCHEMBL12149800 0.69 KDM4E (0.32) KDM4CNPC1ABL1POLBMAPT
SCHEMBL12149793 0.62 KDM4C (0.35) KDM4CNPC1ABL1POLBMAPT
SCHEMBL12149798 0.62 TSHR (0.30) TSHR
SCHEMBL13024703 0.62 SMN1; SMN2 (0.35) KDM4CNPC1ABL1POLBMAPT
SCHEMBL11825534 0.60 TSHR (0.46) POLBLMNAMPIL3MBTL1KDM4E
SCHEMBL3118247 0.60 HSD17B10 (0.53) KDM4CNPC1ABL1POLBMAPT
SCHEMBL13827865 0.60 TSHR (0.38) MAPTBLMLMNASMN1; SMN2KDM4E
SCHEMBL20274519 0.59
SCHEMBL12561756 0.56
SCHEMBL18721823 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-30 US disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20140113880-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8637475-B1 Modified 2′ and 3′ nucleoside prodrugs for treating flaviviridae infections IDENIX PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130330297-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2013-12-12 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20100316594-A1 MODIFIED 2' AND 3' NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS UNIVERSITY OF CAGLIARI (IT) 2010-12-16 US disclosed
US-7250416-B2 Azacytosine analogs and derivatives SUPERGEN, INC. (US) 2007-07-31 US disclosed
US-20070087960-A1 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase IDENIX PHARMACEUTICALS LLC 2007-04-19 US disclosed
US-7192936-B2 Use treating hepatitis C infection optionally with other viricides such as interferons or ribavirin; low toxicity to the host; use of cytosine-based nucleotides or nucleosides having a 2'-trifluoromethyl-ribose moiety which forms a 5'-phosphate or hydroxy moiety in vivo IDENIX PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20070042940-A1 Hepatitis C; antivirals; cytosine, uracil or thymine bases on a cyclopentane ring with optional amino acid ester to form hydroxy or phosphate in vivo IDENIX PHARMACEUTICALS, INC. 2007-02-22 US disclosed
US-20070042939-A1 Hepatitis C; antivirals; 8-modified,1', 2', 3' or 4'-branched purine nucleoside; treating HCV infection IDENIX PHARMACEUTICALS, INC. 2007-02-22 US disclosed
US-20070032407-A1 Use treating hepatitis C infection optionally with other viricides such as interferons or ribavirin; low toxicity to the host; use of cytosine-based nucleotides or nucleosides having a 2'-trifluoromethyl-ribose moiety which forms a 5'-phosphate or hydroxy moiety in vivo IDENIX PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032449-A1 Modified 2' and 3'-nucleoside prodrugs for treating flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070027104-A1 Modified 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070027066-A1 2' and/or 3' prodrug of 6-modified, 1', 2', 3' or 4'-branched pyrimidine nucleoside for the treatment of a Flaviviridae infection, such as a hepatitis C virus infection; 3'-L-valine ester of .beta.-D-2',6-dimethyl-cytidine; Flaviviridae polymerase inhibitors; low toxicity to host IDENIX PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070027065-A1 Modified 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-01 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 (14 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-20070032449-A1 Modified 2' and 3'-nucleoside prodrugs for treating flaviviridae infections PNP, UGT1A3, SLC29A2 KDM4C 2178/4885NPC1 311/4885ABL1 822/4885
US-20070027066-A1 2' and/or 3' prodrug of 6-modified, 1', 2', 3' or 4'-branched pyrimidine nucleoside for the treatment of a Flaviviridae infection, such as a hepatitis C virus infection; 3'-L-valine ester of .beta.-D-2',6-dimethyl-cytidine; Flaviviridae polymerase inhibitors; low toxicity to host DCTD, DIMT1, CYP2D6 KDM4C 1270/4885NPC1 978/4885ABL1 936/4885
US-20100316594-A1 MODIFIED 2' AND 3' NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, SLC29A2 KDM4C 2312/4885NPC1 382/4885ABL1 703/4885
US-20140113880-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, SLC29A2 KDM4C 2178/4885NPC1 311/4885ABL1 822/4885
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 KDM4C 4238/4885NPC1 20/4885ABL1 1513/4885
US-20070027104-A1 Modified 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, UGT1A3, SLC29A2 KDM4C 2178/4885NPC1 311/4885ABL1 822/4885
US-20130330297-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, UGT2B7 KDM4C 1665/4885NPC1 474/4885ABL1 1021/4885
US-20070042940-A1 Hepatitis C; antivirals; cytosine, uracil or thymine bases on a cyclopentane ring with optional amino acid ester to form hydroxy or phosphate in vivo TYMP, NUDT1, MTAP KDM4C 1352/4885NPC1 2240/4885ABL1 812/4885
US-20070032407-A1 Use treating hepatitis C infection optionally with other viricides such as interferons or ribavirin; low toxicity to the host; use of cytosine-based nucleotides or nucleosides having a 2'-trifluoromethyl-ribose moiety which forms a 5'-phosphate or hydroxy moiety in vivo NUDT1, MTAP, HAVCR2 KDM4C 2047/4885NPC1 1107/4885ABL1 777/4885
US-20070087960-A1 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase HAVCR2, UGT1A3, UGT1A1 KDM4C 1969/4885NPC1 410/4885ABL1 420/4885
US-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, UGT2B7 KDM4C 1665/4885NPC1 474/4885ABL1 1021/4885
US-20070042939-A1 Hepatitis C; antivirals; 8-modified,1', 2', 3' or 4'-branched purine nucleoside; treating HCV infection PNP, SLC28A1, SLC29A1 KDM4C 1394/4885NPC1 375/4885ABL1 960/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 KDM4C 4238/4885NPC1 20/4885ABL1 1513/4885
US-20070027065-A1 Modified 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, UGT1A3, SLC29A2 KDM4C 2178/4885NPC1 311/4885ABL1 822/4885

“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.