SCHEMBL501611

SCHEMBL501611

CC(=O)Nc1cc(COC(C)=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.47
MAPK14 Q16539 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR3C2 P08235 8/20 0.45
ALDH1A1 P00352 1/20 0.45
PIK3C3 Q8NEB9 2/20 0.44
CYP3A4 P08684 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
AURKA O14965 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL13036454 0.86 NR3C2 (0.49) MAPK13MAPK14L3MBTL1NR3C2ALDH1A1
SCHEMBL1346607 0.81 PIK3C3 (0.47) MAPK13MAPK14L3MBTL1NR3C2PIK3C3
SCHEMBL7671508 0.81 L3MBTL1 (0.52) MAPK14L3MBTL1NR3C2PIK3C3JAK2
SCHEMBL91333 0.81 RIOK2 (0.57) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL501285 0.81 L3MBTL1 (0.52) MAPK14L3MBTL1NR3C2PIK3C3JAK2
SCHEMBL29507273 0.81 L3MBTL1 (0.52) MAPK14L3MBTL1NR3C2PIK3C3JAK2
SCHEMBL23015674 0.80 NR3C2 (0.55) MAPK14L3MBTL1NR3C2PIK3C3
SCHEMBL4309482 0.80 L3MBTL1 (0.50) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL21847287 0.80 L3MBTL1 (0.50) MAPK14L3MBTL1NR3C2PIK3C3JAK2
SCHEMBL30893838 0.80 L3MBTL1 (0.50) MAPK14L3MBTL1NR3C2PIK3C3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
CN-1918127-B New cyclocompound having 4-pyridylalkylthio group to which substituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2012-02-15 CN disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
CN-1918127-A New cyclocompound having 4-pyridylalkylthio group to which sustituted or unsubstituted amino group is introduced SANTEN PHARMACEUTICAL CO LTD (JP) 2007-02-21 CN disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H MAPK13 1926/4885MAPK14 1572/4885L3MBTL1 3360/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 MAPK13 199/4885MAPK14 226/4885L3MBTL1 4395/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 MAPK13 1819/4885MAPK14 2343/4885L3MBTL1 2780/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H MAPK13 1919/4885MAPK14 1582/4885L3MBTL1 3369/4885

“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.