SCHEMBL4397307

SCHEMBL4397307

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4CN4CCCC4)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.41
ATR Q13535 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
IKBKB O14920 2/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MET P08581 1/20 0.37
KCNH2 Q12809 1/20 0.36
AURKA O14965 2/20 0.35
TTK P33981 2/20 0.35

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
SCHEMBL4397301 1.00 HRH3 (0.41) HRH3ATRCTNNB1TCF7L2IKBKB
SCHEMBL4391580 0.89 ALDH1A1 (0.36) CTNNB1TCF7L2ALDH1A1GAA
SCHEMBL4391574 0.89 ALDH1A1 (0.36) CTNNB1TCF7L2ALDH1A1GAA
SCHEMBL14357013 0.84 HRH3 (0.41) HRH3ATRCTNNB1TCF7L2IKBKB
SCHEMBL14356929 0.84 HRH3 (0.41) HRH3ATRCTNNB1TCF7L2IKBKB
SCHEMBL14356995 0.83 HRH3 (0.41) HRH3ATRCTNNB1TCF7L2IKBKB
SCHEMBL14356998 0.82 HRH3 (0.39) HRH3ATRCTNNB1TCF7L2IKBKB
SCHEMBL4397398 0.80 PRMT5 (0.45) ALDH1A1GAA
SCHEMBL14356996 0.79 HRH3 (0.38) HRH3ATRALDH1A1GAAAURKA
SCHEMBL14356994 0.78 LRRK2 (0.40) HRH3ATRALDH1A1AURKA

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
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
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 HRH3 1091/4885ATR 3933/4885CTNNB1 1857/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HRH3 936/4885ATR 4698/4885CTNNB1 1908/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HRH3 3680/4885ATR 1731/4885CTNNB1 750/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP HRH3 4359/4885ATR 1083/4885CTNNB1 3523/4885

“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.