SCHEMBL3820599

SCHEMBL3820599

CCCn1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)c2cnc(NC(=O)c3ccc(C)cc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PDE10A Q9Y233 1/20 0.38
GLS O94925 1/20 0.38
ELANE P08246 2/20 0.38
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
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KLKB1 P03952 1/20 0.37
RORC P51449 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ATM Q13315 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL3821871 0.90 GLS (0.39) KMT2APDE10AGLSELANENPC1
SCHEMBL5822386 0.90 CNR2 (0.42) PDE10AGLSELANECYP2C9KLKB1
SCHEMBL3822101 0.87 KMT2A (0.40) KMT2AGLSNPC1MAPTPKM
SCHEMBL3811826 0.87 KMT2A (0.39) KMT2AGLSNPC1MAPTPKM
SCHEMBL3816625 0.82 TRPV1 (0.38) GLSTRPV1RORCKCNQ3KCNQ2
SCHEMBL3813771 0.79 KMT2A (0.44) KMT2APDE10ANPC1MAPTPKM
SCHEMBL3812466 0.78 DGAT2 (0.39) GLSTRPV1RORCKCNQ3KCNQ2
SCHEMBL5822872 0.76 CNR2 (0.41) GLSCYP2C9KLKB1
SCHEMBL14388159 0.73 KMT2A (0.40) KMT2AGLSNPC1PKMRAB9A
SCHEMBL3816617 0.72 SMN1; SMN2 (0.48) KMT2ANPC1MAPTPKMRAB9A

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 9 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
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 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 651/4885PDE10A 818/4885GLS 3034/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885PDE10A 633/4885GLS 2324/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885PDE10A 404/4885GLS 2593/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KMT2A 4307/4885PDE10A 1933/4885GLS 251/4885

“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.