SCHEMBL4070047

SCHEMBL4070047

Cc1[nH]c(N)nc(=O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.38
PKM P14618 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
BLM P54132 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
XDH P47989 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9983171 0.78 TYMS (0.38) TYMSTDP1BLMMAPTKDM4E
SCHEMBL21067279 0.77 SMN1; SMN2 (0.37) TYMSPKMTDP1BLMMAPT
SCHEMBL1716189 0.74 TYMS (0.44) TYMSPKMTDP1BLMMAPT
SCHEMBL718209 0.71 XDH (0.39) BLMMAPTL3MBTL1ALDH1A1XDH
SCHEMBL4069622 0.70 KMT2A (0.40) TDP1MAPTKDM4EMEN1POLB
SCHEMBL3919290 0.69 TYMS (0.47) TYMSTDP1BLMMAPTKDM4E
SCHEMBL9762507 0.67 MAPT (0.39) TYMSPKMTDP1MAPTL3MBTL1
SCHEMBL4321330 0.67 TYMS (0.42) TYMSPKMTDP1BLMMAPT
SCHEMBL727348 0.67 TYMS (0.44) TYMSTDP1ALDH1A1XDHDHFR
SCHEMBL4043106 0.66 CDK5 (0.41) TYMSMAPT

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
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 EP claimed
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-07-12 US claimed
US-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2006-04-27 US claimed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 US claimed
EP-1165564-A4 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2003-01-22 EP claimed
EP-1165564-A2 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM INDUSTRIAL RESEARCH LIMITED (NZ) 2002-01-02 EP claimed
WO-2000061783-A2 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM INDUSTRIAL RESEARCH LIMITED (NZ) 2000-10-19 WO claimed
CN-101062928-B Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD 2010-10-06 CN disclosed
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 EP disclosed
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 EP disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 US disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
CN-101062928-A Process for preparing 2-pyrrolidinyl-1h-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism IND RES LTD (NZ) 2007-10-31 CN disclosed
CN-1196704-C Process for preparing nucleoside metabolism inhibitor and intermediate compound IND RES LTD (NZ) 2005-04-13 CN disclosed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-6693193-B1 COUPLING AN N- AND O-PROTECTED 2,3-DIHYDROXY-PYRROLIDINE TO THE 2-POSITION AND DEPROTECTING INDUSTRIAL RESEARCH LIMITED (NZ) 2004-02-17 US disclosed
EP-1165564-A4 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2003-01-22 EP disclosed
CN-1370171-A Process for preparing nucleoside metabolism inhibitors IND RES LTD (NZ) 2002-09-18 CN disclosed
EP-1165564-A2 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM INDUSTRIAL RESEARCH LIMITED (NZ) 2002-01-02 EP disclosed
WO-2000061783-A2 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM INDUSTRIAL RESEARCH LIMITED (NZ) 2000-10-19 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-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism UGT1A3, AGL, PNP TYMS 78/4885PKM 676/4885TDP1 1798/4885
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism XDH, PNP, AGL TYMS 180/4885PKM 708/4885TDP1 1415/4885
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism PNP, UGT1A3, AGL TYMS 67/4885PKM 595/4885TDP1 1846/4885

“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.