SCHEMBL533602

SCHEMBL533602

Brc1nc(Br)c2nc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
RAB9A P51151 1/20 0.39
CSNK2B P67870 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PRNP P04156 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL4316782 0.79 MEN1 (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL355361 0.79 PDPK1 (0.37) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL16146852 0.79 MEN1 (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL9884053 0.79 MEN1 (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL2997391 0.79 CSNK2A1 (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL5145883 0.79 CSNK2A1 (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL497198 0.79 KMT2A (0.36) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL16147419 0.76 XDH (0.38) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL16146290 0.75 MEN1 (0.33) MEN1KMT2ACSNK2A2CSNK2A1RAB9A
SCHEMBL22700363 0.75 MEN1 (0.37) MEN1KMT2ACSNK2A2CSNK2A1RAB9A

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 71 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-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 (4 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 MEN1 4849/4885KMT2A 2992/4885CSNK2A2 1826/4885
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC MEN1 4849/4885KMT2A 2992/4885CSNK2A2 1826/4885
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC MEN1 4849/4885KMT2A 2992/4885CSNK2A2 1826/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC MEN1 4849/4885KMT2A 2992/4885CSNK2A2 1826/4885

“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.