SCHEMBL3833079

SCHEMBL3833079

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ncco4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K5 Q99683 1/20 0.36
ROCK2 O75116 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL3833076 0.89 RET (0.37) MAPTKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL3832183 0.86 TDP1 (0.53) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL4400720 0.85 NAMPT (0.48) POLBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4401748 0.84 NPC1 (0.44) POLBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4397267 0.84 HPGD (0.47) POLBKMT2ARAB9ANPC1ALDH1A1
SCHEMBL4391744 0.84 RAB9A (0.42) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL4391476 0.84 KMT2A (0.47) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL4393053 0.83 ADORA2A (0.42) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL3833014 0.82 RAB9A (0.41) POLBMAPTKMT2ARAB9ANPC1
SCHEMBL4396910 0.82 RAB9A (0.40) POLBMAPTKMT2ARAB9ANPC1

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 POLB 4081/4885MAPT 7/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A POLB 4164/4885MAPT 101/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP POLB 3487/4885MAPT 9/4885KMT2A 426/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP POLB 135/4885MAPT 1982/4885KMT2A 4307/4885

“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.