SCHEMBL4339744

SCHEMBL4339744

Oc1cc(-c2cc(Cl)ccn2)nc(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CCR8 P51685 1/20 0.56
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GRM5 P41594 7/20 0.49
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
MITF O75030 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
METAP1 P53582 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PPP1CA P62136 1/20 0.44
ALOX15 P16050 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
SCHEMBL4340562 0.89 CCR1 (0.42) CCR1CCR5CCR8GRM5MAPT
SCHEMBL4340551 0.85 KDM4E (0.63) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL1443106 0.82 KDM4E (0.68) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL10157013 0.81 KDM4E (0.57) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL29577140 0.80 CCR1 (0.70) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL913279 0.80 CCR1 (0.70) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL1993385 0.77 CCR1 (0.72) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL5016195 0.75 KDM4E (0.66) KDM4ETDP1GRM5NPC1MAPT
SCHEMBL5026240 0.74 KDM4E (0.58) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL19690959 0.74 KDM4E (0.58) KDM4ETDP1GRM5L3MBTL1ALOX15

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-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-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-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 CCR1 4748/4885CCR5 4158/4885CCR8 4766/4885
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 CCR1 2788/4885CCR5 2847/4885CCR8 4077/4885
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 CCR1 2788/4885CCR5 2847/4885CCR8 4077/4885

“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.