SCHEMBL5214030

SCHEMBL5214030

O=C(NCCc1ccncc1)c1ccnc(C(=O)NCCc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM5B Q9UGL1 2/20 0.56
KDM4E B2RXH2 1/20 0.56
KDM5A P29375 1/20 0.56
KDM5C P41229 1/20 0.56
HIF1A Q16665 2/20 0.54
HTT P42858 1/20 0.52
CNR2 P34972 1/20 0.52
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NPY5R Q15761 1/20 0.50
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL5215104 0.89 KDM5B (0.71) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL5212583 0.87 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM5BKDM4E
SCHEMBL5211792 0.86 KDM5B (0.56) RAB9ANPC1SMN1; SMN2KDM5BKDM4E
SCHEMBL5211284 0.86 KDM5B (0.54) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL5213342 0.86 RAB9A (0.60) RAB9ANPC1SMN1; SMN2KDM5BKDM4E
SCHEMBL5213915 0.86 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KDM5BKDM4E
SCHEMBL5209755 0.85 SMN1; SMN2 (0.64) SMN1; SMN2HTTMAPK1ALDH1A1ROCK2
SCHEMBL5210141 0.84 HDAC2 (0.67) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL5212467 0.83 KMT2A (0.61) RAB9ANPC1SMN1; SMN2KDM5BHTT
SCHEMBL8945334 0.82 POLB (0.54) KDM5BKDM4EKDM5AKDM5CHTT

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 RAB9A 1604/4885HDAC2 280/4885HDAC8 325/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 RAB9A 3430/4885HDAC2 97/4885HDAC8 220/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 RAB9A 3259/4885HDAC2 94/4885HDAC8 212/4885
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 RAB9A 2386/4885HDAC2 283/4885HDAC8 573/4885

“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.