SCHEMBL3822101

SCHEMBL3822101

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KLKB1 P03952 1/20 0.38
NTRK1 P04629 1/20 0.37
GLS O94925 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 2/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ITK Q08881 2/20 0.36
CSF1R P07333 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
SCHEMBL3816625 0.93 TRPV1 (0.38) TRPV1NTRK1GLSNAMPTBCDIN3D
SCHEMBL3811826 0.93 KMT2A (0.39) KMT2AMAPK11MAPK14NPC1MAPT
SCHEMBL3812466 0.90 DGAT2 (0.39) TRPV1NTRK1GLSBCDIN3DDGAT2
SCHEMBL3820599 0.87 KMT2A (0.39) KMT2AMAPK11MAPK14NPC1MAPT
SCHEMBL3821871 0.86 GLS (0.39) KMT2AMAPK11MAPK14NPC1MAPT
SCHEMBL3816617 0.85 SMN1; SMN2 (0.48) KMT2AMAPK14NPC1MAPTPKM
SCHEMBL3821662 0.85 KMT2A (0.58) KMT2AMAPTSMN1; SMN2NAMPT
SCHEMBL14388159 0.84 KMT2A (0.40) KMT2AMAPK11MAPK14NPC1PKM
SCHEMBL3813353 0.83 MAPT (0.45) KMT2ANPC1MAPTPKMRAB9A
SCHEMBL5822872 0.82 CNR2 (0.41) KLKB1GLSNAMPTPDE2A

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
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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO 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 KMT2A 651/4885MAPK11 1915/4885MAPK14 3333/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885MAPK11 3024/4885MAPK14 4283/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885MAPK11 2515/4885MAPK14 4156/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KMT2A 4307/4885MAPK11 3348/4885MAPK14 3342/4885

“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.