SCHEMBL5209577

SCHEMBL5209577

O=C(NCc1cccnc1)c1ccnc(C(=O)NCc2cccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.73
L3MBTL1 Q9Y468 3/20 0.70
HTT P42858 4/20 0.69
TSHR P16473 4/20 0.62
ALDH1A1 P00352 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
USP2 O75604 1/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
BLM P54132 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL5210141 0.87 HDAC2 (0.67) MMP13L3MBTL1HTTKMT2AKDM4E
SCHEMBL8358422 0.86 MMP13 (0.68) MMP13L3MBTL1HTTALDH1A1NPC1
SCHEMBL18416069 0.85 MMP13 (1.00) MMP13L3MBTL1HTTTSHRALDH1A1
SCHEMBL16598258 0.83 HTT (0.76) MMP13L3MBTL1HTTTSHRALDH1A1
SCHEMBL5209755 0.83 SMN1; SMN2 (0.64) MMP13L3MBTL1HTTALDH1A1LMNA
SCHEMBL1568226 0.83 ALDH1A1 (0.72) MMP13L3MBTL1HTTTSHRALDH1A1
SCHEMBL29800992 0.82 HTT (1.00) MMP13HTTTSHRALDH1A1NPSR1
SCHEMBL7082686 0.81 TSHR (0.73) MMP13HTTTSHRALDH1A1NPSR1
SCHEMBL5214954 0.80 NPC1 (0.63) MMP13HTTTSHRKMT2AMEN1
SCHEMBL5213782 0.80 ROCK2 (0.58) MMP13HTTLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP claimed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US claimed
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP disclosed
US-7015237-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-03-21 US disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-6881743-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-04-19 US disclosed
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2004-10-21 US disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US disclosed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885L3MBTL1 4723/4885HTT 798/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885L3MBTL1 4204/4885HTT 2960/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885L3MBTL1 4247/4885HTT 3011/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885L3MBTL1 4656/4885HTT 730/4885

“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.