SCHEMBL4838539

SCHEMBL4838539

Nc1nc(Cl)[nH]c2ccnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CDK5 Q00535 6/20 0.34
CDK5R1 Q15078 6/20 0.34
MMP2 P08253 1/20 0.33
PIM1 P11309 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
SCHEMBL1800839 0.80 CDK5 (0.42) MMP12MAPTKDM4ENPC1GLA
SCHEMBL1021282 0.80 MAPT (0.39) MMP12MAPTKDM4ENPC1GLA
SCHEMBL193008 0.77 MAPT (0.37) MMP12MAPTKDM4ENPC1GLA
SCHEMBL4838743 0.77 MAPT (0.37) MMP12MAPTKDM4ENPC1GLA
SCHEMBL28888432 0.73 MMP12 (0.45) MMP12MAPTKDM4EKMT2ABACE1
SCHEMBL1747899 0.65 KDM4A (0.37) MMP12MAPTKDM4EGLANOS3
SCHEMBL28391879 0.65 ALDH1A1 (0.34) MMP12MAPTKDM4ENPC1GLA
SCHEMBL4872325 0.65 CDK5 (0.41) MMP12MAPTKDM4ENPC1GLA
Hydrochloric Acid SCHEMBL3353320 0.64 KDM4A (0.36) MMP12MAPTKDM4ENOS3NOS2
SCHEMBL60386 0.64 KDM4A (0.33) NOS3NOS2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390890-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-06-24 US disclosed
CN-100393722-C Inhibitors of nucleoside metabolism EINSTEIN COLL MED (US) 2008-06-11 CN disclosed
US-20070197561-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-08-23 US disclosed
WO-2007069924-A1 DEAZAPURINE ANALOGS OF 4'-AZA-L-NUCLEOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2007-06-21 WO disclosed
US-7211653-B2 Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-05-01 US disclosed
CN-1757646-A Inhibitors of nucleoside metabolism EINSTEIN COLL MED (US) 2006-04-12 CN disclosed
CN-1220695-C Inhibitors of nucleoside metabolism ALBERT EINSTEIN MEDICAL COLLAG (US) 2005-09-28 CN 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
US-20030096830-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2003-05-22 US disclosed
US-6492347-B2 TREATMENT AND/OR PROPHYLAXIS OF INFECTION CAUSED BY PROTOZOAN PARASITE BY ADMINISTERING COMPOUND TO INHIBIT PURINE NUCLEOSIDE HYDROLASE, PURINE NUCLEOSIDE PHOSPHORYLASE, AND/OR PURINE PHOSPHORIBOSYL TRANSFERASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-12-10 US disclosed
US-20020061898-A1 Inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2002-05-23 US 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
CN-1279686-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLAGE OF MED (US) 2001-01-10 CN disclosed
US-6066722-A Inhibitors of nucleoside metabolism ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-05-23 US disclosed
US-5985848-A EFFECTIVE INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE AND/OR NUCLEOSIDE HYDROLASES; TREATMENT AND/OR PROPHYLAXIS OF A PROTOZOAN INFECTION ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-11-16 US 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-20050026936-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 MMP12 4855/4885MAPT 2371/4885KDM4E 3165/4885
US-20020061898-A1 Inhibitors of nucleoside metabolism PNP, APRT, NUDT14 MMP12 2934/4885MAPT 134/4885KDM4E 2205/4885
US-20070197561-A1 Inhibitors of nucleoside metabolism CFH, CBR3, SLCO2B1 MMP12 4855/4885MAPT 2371/4885KDM4E 3165/4885
US-20030096830-A1 Inhibitors of nucleoside metabolism CFH, NADK, UGT1A3 MMP12 4824/4885MAPT 1964/4885KDM4E 3550/4885

“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.