SCHEMBL5215154

SCHEMBL5215154

CCNC(=O)c1ccncc1.CCNC(=O)c1ccncc1.O=C(O)c1ccnc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.61
ALKBH5 Q6P6C2 5/20 0.61
KDM4E B2RXH2 4/20 0.61
KDM5A P29375 2/20 0.61
KDM5C P41229 2/20 0.61
KDM5B Q9UGL1 2/20 0.61
KDM6B O15054 1/20 0.61
TET3 O43151 1/20 0.61
KDM4A O75164 1/20 0.61
BBOX1 O75936 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
ASPH Q12797 1/20 0.61
KDM4D Q6B0I6 1/20 0.61
TET2 Q6N021 1/20 0.61
KDM7A Q6ZMT4 1/20 0.61
KDM8 Q8N371 1/20 0.61
TET1 Q8NFU7 1/20 0.61
EGLN2 Q96KS0 1/20 0.61
EGLN1 Q9GZT9 1/20 0.61

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
SCHEMBL2713556 0.90 KDM4E (0.61) FTOALKBH5KDM4EKDM5AKDM5C
SCHEMBL2714869 0.87 FTO (0.61) FTOALKBH5KDM4EKDM5AKDM5C
SCHEMBL29831092 0.87 FTO (0.61) FTOALKBH5KDM4EKDM5AKDM5C
SCHEMBL1028171 0.82 GAA (0.67) KDM4EALDH1A1MAPTCA1GAA
SCHEMBL4353042 0.81 ITGB3 (0.47) FTOALKBH5KDM4EKDM5AKDM5C
Acetic Acid SCHEMBL27913808 0.80 GAA (0.61) KDM4EALDH1A1CA1GAACA9
SCHEMBL13383551 0.80 KDM4E (0.69) KDM4EKDM5AKDM5CKDM5BKDM6B
SCHEMBL29382783 0.78 KDM5C (1.00) FTOALKBH5KDM4EKDM5AKDM5C
SCHEMBL72377 0.78 KDM5C (1.00) FTOALKBH5KDM4EKDM5AKDM5C
Hydrochloric Acid SCHEMBL10778857 0.77 KDM5C (0.96) FTOALKBH5KDM4EKDM5AKDM5C

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 FTO 3689/4885ALKBH5 3712/4885KDM4E 476/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 FTO 3764/4885ALKBH5 2746/4885KDM4E 991/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 FTO 3650/4885ALKBH5 2556/4885KDM4E 812/4885
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 FTO 3527/4885ALKBH5 3617/4885KDM4E 559/4885

“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.