SCHEMBL533603

SCHEMBL533603

Brc1nc(Br)c2[nH]cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CDK2 P24941 2/20 0.41
DPP4 P27487 1/20 0.41
PNP P00491 1/20 0.40
MEN1 O00255 1/20 0.39
CSNK2A2 P19784 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
XDH P47989 2/20 0.38
PRKACA P17612 2/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 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
SCHEMBL5145886 0.79 CDK2 (0.61) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL16146853 0.79 PDPK1 (0.41) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL29873925 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4PNP
SCHEMBL355362 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4PRKACA
SCHEMBL612211 0.79 GDA (0.41) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL497199 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4PNP
SCHEMBL2997392 0.79 DPP4 (0.61) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL16147421 0.75 XDH (0.65) PDPK1GDAALDH1A1XDHPRKACA
SCHEMBL16146291 0.75 CDK2 (0.45) PDPK1GDACDK2DPP4XDH
SCHEMBL3328527 0.71 PDPK1 (0.54) PDPK1GDACDK2DPP4PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100490818-C Methods for treating hepatitis delta virus infection with beta-L-2' deoxy-uncleosides NOVARTIS AG (CH) 2009-05-27 CN claimed
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
EP-0595826-A1 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS Southern Research Institute (US) 1994-05-11 EP disclosed
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 EP disclosed
WO-1992020347-A1 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-11-26 WO disclosed
EP-0473708-A4 2-HALO-9-(2-DEOXY-2-FLUORO-B-D-ARABINOFURANOSYL) ADENINE NUCLEOSIDE DERIVATIVES 1992-04-22 EP disclosed
US-5034518-A Anticarcinogenic agents SOUTHERN RESEARCH INSTITUTE (US) 1991-07-23 US disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 US disclosed
WO-1990014352-A1 2-HALO-9-(2-DEOXY-2-FLUORO-B-D-ARABINOFURANOSYL) ADENINE NUCLEOSIDE DERIVATIVES SOUTHERN RESEARCH INSTITUTE (US) 1990-11-29 WO disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 EP disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 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 (3 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 PDPK1 2471/4885GDA 492/4885ALDH1A1 2036/4885
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC PDPK1 2471/4885GDA 492/4885ALDH1A1 2036/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC PDPK1 2471/4885GDA 492/4885ALDH1A1 2036/4885

“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.