SCHEMBL3271828

SCHEMBL3271828

NCc1ccc2nonc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.53
KCNH2 Q12809 4/20 0.53
PKM P14618 1/20 0.51
ENPP2 Q13822 2/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.36
LOX P28300 1/20 0.36
LOXL3 P58215 1/20 0.36

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
Hydrochloric Acid SCHEMBL19119426 0.98 PKM (0.54) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL5210614 0.83 TAAR1 (0.53) KCNJ1KCNH2PKMALDH1A1MAPK1
SCHEMBL14945089 0.83 KCNJ1 (0.59) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL4948659 0.80 KCNJ1 (0.56) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL2093216 0.78 KCNJ1 (0.53) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL8256316 0.78 KCNJ1 (0.53) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL8913108 0.78 ENPP2 (0.54) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL2056122 0.78 KCNJ1 (0.53) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL243150 0.78 KCNJ1 (0.53) KCNJ1KCNH2PKMENPP2ALDH1A1
SCHEMBL13610285 0.78 KCNJ1 (0.53) KCNJ1KCNH2PKMENPP2ALDH1A1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368323-B1 PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2010-06-30 EP claimed
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP claimed
US-6936616-B2 Pyrimidine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-30 US claimed
JP-2004518723-A 2004-06-24 JP claimed
EP-1368323-A1 PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 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
US-20020151555-A1 Pyrimidine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-17 US claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-2002064571-A1 PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US disclosed
US-20020151555-A1 Pyrimidine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-17 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064571-A1 PYRIMIDINE 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 (3 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-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 KCNJ1 3095/4885KCNH2 1660/4885PKM 4353/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 KCNJ1 1994/4885KCNH2 2018/4885PKM 261/4885
US-20020151555-A1 Pyrimidine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 KCNJ1 3251/4885KCNH2 2458/4885PKM 4649/4885

“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.