SCHEMBL5215161

SCHEMBL5215161

CCN(Cc1ccncc1)C(=O)c1ccnc(C(=O)N(CC)Cc2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
F2 P00734 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL6238400 0.92 SLC2A1 (0.46) USP2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5214358 0.89 PPARG (0.55) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL5808527 0.85 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1LMNAMEN1
SCHEMBL6238397 0.83 ALDH1A1 (0.54) USP2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6992829 0.81 MAPT (0.46) ALDH1A1MAPTL3MBTL1LMNAMEN1
SCHEMBL5210605 0.80 CFTR (0.55) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL16565835 0.80 USP2 (0.65) USP2ALDH1A1MAPTLMNAGFER
SCHEMBL19226522 0.79 USP2 (0.59) USP2ALDH1A1MAPTLMNAGFER
SCHEMBL17888452 0.79 MMP13 (0.60) USP2ALDH1A1MAPTLMNAGFER
SCHEMBL6991932 0.78 MAPT (0.41) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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
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
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 USP2 1457/4885ALDH1A1 1764/4885MAPT 1345/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 USP2 2546/4885ALDH1A1 544/4885MAPT 4764/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 USP2 2616/4885ALDH1A1 571/4885MAPT 4761/4885
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 USP2 1457/4885ALDH1A1 878/4885MAPT 1774/4885

“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.