SCHEMBL13010068

SCHEMBL13010068

CC[C@H]1O[C@@](CBr)(n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](C)C1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.37
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
BMPR1B O00238 1/20 0.35
P2RY12 Q9H244 2/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL13559220 1.00 PRMT6 (0.37) PRMT6ADORA1ADORA3ADORA2ABMPR1B
SCHEMBL13787608 0.90 RAB9A (0.36)
SCHEMBL15962174 0.84 NR1H4 (0.40)
SCHEMBL27518665 0.79 ADORA1 (0.43) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL28423217 0.76 ADORA1 (0.40) ADORA1ADORA3ADORA2AP2RY12ADORA2B
SCHEMBL7203906 0.75 ADORA1 (0.42) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL29313494 0.74 BMPR1B (0.56) ADORA1ADORA3ADORA2ABMPR1BP2RY12
SCHEMBL26534039 0.74 ADORA3 (0.42) ADORA1ADORA3ADORA2AP2RY12
SCHEMBL28165438 0.73 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL20149801 0.73 PRMT6 (0.49) PRMT6ADORA1ADORA3BMPR1BP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130149283-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) 2013-06-13 US disclosed
US-20130017171-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) 2013-01-17 US disclosed
US-8343937-B2 Methods and compositions for treating flaviviruses and pestiviruses IDENIX PHARMACEUTICALS, INC. (US) 2013-01-01 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-7662798-B2 2′ and 3′-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7608600-B2 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase IDENIX PHARMACEUTICALS, INC. (US) 2009-10-27 US disclosed
US-7608597-B2 Methods and compositions for treating hepatitis C virus IDENIX PHARMACEUTICALS, INC. (US) 2009-10-27 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-20070042990-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-22 US disclosed
US-20070037773-A1 Methods and compositions for treating flaviviruses and pestiviruses IDENIX PHARMACEUTICALS LLC 2007-02-15 US disclosed
US-20070037735-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-15 US disclosed
US-20070032449-A1 Modified 2' and 3'-nucleoside prodrugs for treating flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-02-08 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-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-7169766-B2 Methods and compositions for treating hepatitis C virus IDENIX PHARMACEUTICALS, INC. (US) 2007-01-30 US disclosed
US-20070015905-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7157441-B2 Methods and compositions for treating hepatitis C virus IDENIX PHARMACEUTICALS, INC. (US) 2007-01-02 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 (13 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-20070042990-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, NSUN2, HAVCR2 PRMT6 2866/4885ADORA1 419/4885ADORA3 214/4885
US-20070037735-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, NSUN2, HAVCR2 PRMT6 2866/4885ADORA1 419/4885ADORA3 214/4885
US-20070032449-A1 Modified 2' and 3'-nucleoside prodrugs for treating flaviviridae infections PNP, UGT1A3, SLC29A2 PRMT6 2443/4885ADORA1 306/4885ADORA3 132/4885
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 PRMT6 671/4885ADORA1 735/4885ADORA3 333/4885
US-20100316594-A1 MODIFIED 2' AND 3' NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, SLC29A2 PRMT6 2355/4885ADORA1 296/4885ADORA3 125/4885
US-20130149283-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL PRMT6 2675/4885ADORA1 921/4885ADORA3 482/4885
US-20070027104-A1 Modified 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, UGT1A3, SLC29A2 PRMT6 2443/4885ADORA1 306/4885ADORA3 132/4885
US-20130330297-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, UGT2B7 PRMT6 2353/4885ADORA1 408/4885ADORA3 178/4885
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 PRMT6 3104/4885ADORA1 251/4885ADORA3 96/4885
US-20070037773-A1 Methods and compositions for treating flaviviruses and pestiviruses MTAP, PHOSPHO1, PNP PRMT6 2073/4885ADORA1 1885/4885ADORA3 1821/4885
US-20070087960-A1 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase HAVCR2, UGT1A3, UGT1A1 PRMT6 3062/4885ADORA1 635/4885ADORA3 308/4885
US-20130017171-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL PRMT6 2675/4885ADORA1 921/4885ADORA3 482/4885
US-20070015905-A1 2' and 3'-nucleoside prodrugs for treating Flaviviridae infections PNP, NSUN2, HAVCR2 PRMT6 2866/4885ADORA1 419/4885ADORA3 214/4885

“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.