SCHEMBL9846300

SCHEMBL9846300

O=c1cc(-c2ccccn2)[nH]c(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
LMNA P02545 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
HIF1A Q16665 1/20 0.53
BTK Q06187 1/20 0.51
METAP2 P50579 7/20 0.50
METAP1 P53582 7/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
MTOR P42345 1/20 0.50
MAPT P10636 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 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
SCHEMBL5390769 0.89 NPY5R (0.53) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5396521 0.86 KDM4E (0.50) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL9846148 0.83 BTK (0.46) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2721741 0.82 CBFB (0.52) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10838008 0.78 KDM4E (0.50) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL1988750 0.77 KDM4E (0.58) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13611987 0.75 LMNA (0.54) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL308319 0.74 GSK3B (0.61) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL29470995 0.74 GSK3B (0.61) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5386067 0.73 GSK3B (0.51) NPC1LMNARAB9ASMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP claimed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 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-7291584-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-11-06 US disclosed
US-20070032656-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2007-02-08 US disclosed
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP 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 NPC1 4824/4885LMNA 4192/4885RAB9A 2931/4885
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 NPC1 785/4885LMNA 1750/4885RAB9A 1411/4885
US-20070032656-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 NPC1 785/4885LMNA 1750/4885RAB9A 1411/4885

“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.