SCHEMBL4338239

SCHEMBL4338239

Oc1nc(-c2ccccn2)nc(-c2ccccn2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.78
TDP1 Q9NUW8 3/20 0.78
ALOX15 P16050 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TP53 P04637 4/20 0.58
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
METAP1 P53582 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
ALPL P05186 2/20 0.52
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL322756 0.89 KDM4E (1.00) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL29354466 0.89 KDM4E (1.00) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL11213260 0.86 KDM4E (0.95) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL29171375 0.86 KDM4E (0.95) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL789163 0.86 KDM4E (0.95) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL870201 0.86 KDM4E (0.95) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL32681187 0.86 KDM4E (0.95) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL6321672 0.84 KDM4E (0.90) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL11184810 0.82 KDM4E (0.53) KDM4ETDP1ALOX15L3MBTL1TP53
SCHEMBL11187319 0.82 KDM4E (0.53) KDM4ETDP1ALOX15L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces CIBA SPECIALTY CHEMICALS CORP. 2008-01-03 US disclosed
US-7138363-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-11-21 US disclosed
EP-1703976-A2 USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE, PYRIMIDINE OR S-TRIAZINE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACIDS AND H2O2 Ciba Specialty Chemicals Holding Inc. (CH) 2006-09-27 EP disclosed
EP-1703977-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS Ciba SC Holding AG (CH) 2006-09-27 EP disclosed
EP-1556467-B1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SC HOLDING AG (CH) 2006-07-05 EP disclosed
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2006-03-09 US disclosed
WO-2005105303-A1 USE OF METAL COMPLEXES HAVING BISPYRIDYLPYRIMIDINE OR BISPYRIDYLTRIAZINE LIGANDS AS CATALYSTS FOR REACTIONS WITH PEROXY COMPOUNDS FOR BLEACHING COLOURED STAINS ON HARD SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
WO-2005068075-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
WO-2005068074-A2 USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE PRYIMIDINE OR S-TRIAZNE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACID AND H2O2 CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
EP-1556467-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004039934-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 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-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces TYR, DPY30, TET2 KDM4E 1132/4885TDP1 1438/4885ALOX15 2656/4885
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 KDM4E 2650/4885TDP1 2547/4885ALOX15 646/4885
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 KDM4E 2650/4885TDP1 2547/4885ALOX15 646/4885

“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.