SCHEMBL934717

SCHEMBL934717

O=Cc1cn(COCc2ccccc2)c2c(Cl)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
DAPK1 P53355 1/20 0.34
POLB P06746 1/20 0.33
ALKBH1 Q13686 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
ADORA2A P29274 1/20 0.32
EGFR P00533 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1415647 0.84 DAPK1 (0.36) NPC1RAB9AL3MBTL1DAPK1POLB
SCHEMBL25248533 0.82 L3MBTL1 (0.36) SMN1; SMN2NPC1RAB9AL3MBTL1DAPK1
SCHEMBL1415673 0.82 L3MBTL1 (0.36) SMN1; SMN2NPC1RAB9AL3MBTL1DAPK1
SCHEMBL1945538 0.81 DAPK1 (0.35) DAPK1ADORA2ATSHRALDH1A1LMNA
SCHEMBL16152155 0.81 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1DAPK1
SCHEMBL12880601 0.80 PDE5A (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1DAPK1
SCHEMBL13713297 0.73 HPGD (0.36) DAPK1ADORA2ATSHRMAPTALDH1A1
SCHEMBL1222811 0.71 MTAP (0.40) SMN1; SMN2POLBKMT2AMEN1ADORA2A
SCHEMBL12880597 0.71 CD274 (0.33) ADORA2ALMNA
SCHEMBL1222808 0.70 CYP1A2 (0.31) TSHRALDH1A1LMNAHPGDHTT

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
EP-2454263-B1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2018-06-13 EP disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
EP-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
EP-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
CN-101528749-B Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases IND RES LTD 2013-07-31 CN disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 US disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 US disclosed
WO-2011008110-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF YESHIVA UNIVERSITY (US) 2011-01-20 WO disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
CN-101528749-A Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases IND RES LTD (NZ) 2009-09-09 CN disclosed
EP-2057165-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-05-13 EP disclosed
EP-2049543-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2009-04-22 EP disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 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 (2 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-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP SMN1; SMN2 1490/4885NPC1 1534/4885RAB9A 3671/4885
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP SMN1; SMN2 1591/4885NPC1 1050/4885RAB9A 2698/4885

“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.