SCHEMBL532461

SCHEMBL532461

Ic1nc(I)c2[nH]cnc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.66
ADORA1 P30542 3/20 0.45
HTR2B P41595 1/20 0.45
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.41
PNP P00491 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
XDH P47989 2/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL842438 0.79 PDPK1 (0.66) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL16146458 0.79 CDK2 (0.47) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL31350217 0.79 PDPK1 (0.66) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL2352414 0.79 DPP4 (0.61) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL16147074 0.79 CDK2 (0.47) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL5935896 0.79 CDK2 (0.61) CDK2HTR2BPDPK1GDADPP4
SCHEMBL135690 0.79 CDK2 (1.00) CDK2ADORA1PDPK1GDADPP4
SCHEMBL5145886 0.79 CDK2 (0.61) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL16145906 0.75 CDK2 (0.45) CDK2ADORA1HTR2BPDPK1GDA
SCHEMBL16146988 0.75 XDH (0.65) CDK2ADORA1HTR2BPDPK1GDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415776-B1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B NOVARTIS AG (CH) 2016-05-25 EP disclosed
US-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-1572095-B1 BETA-L-2'-DEOXYNUCLEOSIDES FOR USE IN THE TREATMENT OF RESISTANT HBV STRAINS NOVARTIS AG (CH) 2015-06-10 EP disclosed
EP-1431304-B1 Beta - L-2'-Deoxy-Nucleosides for the treatment of Hepatitis B NOVARTIS AG (CH) 2014-12-03 EP disclosed
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2013-12-05 US disclosed
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
EP-2415776-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
US-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2011-08-11 US disclosed
EP-1292313-A2 METHODS FOR TREATING HEPATITIS DELTA VIRUS INFECTION WITH BETA-L-2' DEOXY-NUCLEOSIDES Idenix (Cayman) Limited (KY) 2003-03-19 EP disclosed
EP-1284720-A2 METHOD OF TREATING HEPATITIS DELTA VIRAL INFECTION Georgetown University (US) 2003-02-26 EP disclosed
US-20020160980-A1 Method of treating hepatitis delta virus infection UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC 2002-10-31 US disclosed
US-6444652-B1 β-L-2'-deoxy-nucleosides for the treatment of hepatitis B NOVIRIO PHARMACEUTICALS LIMITED (CY) 2002-09-03 US disclosed
US-6395716-B1 Antivirals such as telbivudine NOVIRIO PHARMACEUTICALS LIMITED (KY) 2002-05-28 US disclosed
US-20020035085-A1 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof NOVARTIS AG (CH) 2002-03-21 US disclosed
WO-2001091737-A2 METHODS FOR TREATING HEPATITIS DELTA VIRUS INFECTION WITH BETA-L-2' DEOXY-NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2001-12-06 WO disclosed
WO-2001072294-A2 METHOD OF TREATING HEPATITIS DELTA VIRAL INFECTION GEORGETOWN UNIVERSITY (US) 2001-10-04 WO disclosed
EP-1104436-A2 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B VIRUS Idenix (Cayman) Limited (KY) 2001-06-06 EP disclosed
WO-2000009531-A2 β-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-02-24 WO 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 (6 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-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC CDK2 1302/4885ADORA1 282/4885HTR2B 2243/4885
US-20020035085-A1 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof DCTD, DUT, DPYD CDK2 2921/4885ADORA1 536/4885HTR2B 4151/4885
US-20020160980-A1 Method of treating hepatitis delta virus infection NSUN3, METTL3, METAP1 CDK2 2633/4885ADORA1 298/4885HTR2B 3744/4885
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC CDK2 1302/4885ADORA1 282/4885HTR2B 2243/4885
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC CDK2 1302/4885ADORA1 282/4885HTR2B 2243/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC CDK2 1302/4885ADORA1 282/4885HTR2B 2243/4885

“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.