SCHEMBL4839201

SCHEMBL4839201

Cc1nc(O)nc(O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2840817 0.89 PKM (0.39) MAPTHTTALDH1A1TDP1NPSR1
SCHEMBL3633581 0.84 MEN1 (0.37) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL7078865 0.83 MAPT (0.37) MAPTHTTALDH1A1TDP1NPSR1
SCHEMBL9153626 0.83 MAPT (0.36) MAPTHTTALDH1A1TDP1NPSR1
SCHEMBL6698344 0.80 MAPT (0.48) MAPTHTTALDH1A1TDP1NPSR1
SCHEMBL3669872 0.79 MAPT (0.40) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL3107389 0.79 MAPT (0.48) MAPTHTTALDH1A1TDP1PKM
SCHEMBL596867 0.76 TDP1 (0.38) MAPTHTTALDH1A1TDP1PKM
SCHEMBL8057951 0.75 MEN1 (0.35) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL3444768 0.75 ALDH1A1 (0.36) MAPTHTTALDH1A1TDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866678-A Pyrrolopyrimidine ketone compound and its preparation method and application 中国科学院广州生物医药与健康研究院 2017-06-20 CN disclosed
CN-103896953-A 2, 4-dihydroxypyrrole [2,3-d ] pyrimidine derivative and preparation method and application thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD 2014-07-02 CN disclosed
US-7390890-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-24 US disclosed
US-20070197561-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-7211653-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-05-01 US disclosed
EP-1023308-B1 INHIBITORS OF NUCLEOSIDE METABOLISM EINSTEIN COLL MED (US) 2005-09-07 EP disclosed
US-20050026936-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-6803455-B2 PYRROLO(3,2-D)PYRIMIDIN-7-YL)-1,4-IMINO-D-RIBITOL DERIVATIVES; FOR SUPPRESSION OF T-CELL FUNCTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-10-12 US disclosed
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-6599911-B2 Particularly useful in treating and suppressing human Cytomegalovirus TULARIK INC. 2003-07-29 US disclosed
US-20020061898-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2002-05-23 US disclosed
WO-2001051485-A1 ARYLSULFONIC ACID SALTS OF PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed
US-6228847-B1 ADMINISTERING PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES AS PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITOR ALBERT EINSTEIN COLLEGE OF MEDICINE 2001-05-08 US disclosed
EP-1023308-A1 INHIBITORS OF NUCLEOSIDE METABOLISM ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-08-02 EP disclosed
US-6066722-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-05-23 US disclosed
WO-1999019338-A1 INHIBITORS OF NUCLEOSIDE METABOLISM ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-04-22 WO disclosed
US-5213972-A Production of thymidine and deoxyuridine, intermediates for AZT CHEMGEN CORPORATION (US) 1993-05-25 US disclosed
EP-0504279-A4 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES 1993-02-17 EP disclosed
EP-0504279-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES. CHEMGEN CORP (US) 1992-09-23 EP disclosed
WO-1991009130-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES CHEMGEN CORPORATION (US) 1991-06-27 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-20050026936-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 MAPT 2371/4885HTT 1391/4885ALDH1A1 3616/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 MAPT 134/4885HTT 1403/4885ALDH1A1 977/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 MAPT 2371/4885HTT 1391/4885ALDH1A1 3616/4885

“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.