SCHEMBL3821871

SCHEMBL3821871

Cc1ccc(C(=O)Nc2ncc3c(C(=O)NCc4ccc(C(F)(F)F)nc4)cn(CC(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.39
KMT2A Q03164 2/20 0.39
ELANE P08246 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
KLKB1 P03952 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
PDE10A Q9Y233 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CDK2 P24941 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
SCHEMBL3820599 0.90 KMT2A (0.39) GLSKMT2AELANEHDAC6NPC1
SCHEMBL3822101 0.86 KMT2A (0.40) GLSKMT2AHDAC6NPC1MAPT
SCHEMBL3811826 0.84 KMT2A (0.39) GLSKMT2AHDAC6NPC1MAPT
SCHEMBL3816690 0.81 MAPT (0.44) KMT2ANPC1MAPTPKMRAB9A
SCHEMBL3816625 0.80 TRPV1 (0.38) GLSTRPV1ADORA2AADORA2BRORC
SCHEMBL5822386 0.79 CNR2 (0.42) GLSELANEKLKB1PDE10ACDK2
SCHEMBL3812466 0.77 DGAT2 (0.39) GLSTRPV1RORCDGAT2
SCHEMBL5822872 0.74 CNR2 (0.41) GLSKLKB1NAMPT
SCHEMBL3818713 0.72 MAPT (0.43) KMT2ANPC1MAPTPKMRAB9A
SCHEMBL14388159 0.72 KMT2A (0.40) GLSKMT2AHDAC6NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US 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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 GLS 3034/4885KMT2A 651/4885ELANE 2450/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A GLS 2324/4885KMT2A 464/4885ELANE 1869/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP GLS 2593/4885KMT2A 426/4885ELANE 4119/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP GLS 251/4885KMT2A 4307/4885ELANE 3054/4885

“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.