SCHEMBL4392869

SCHEMBL4392869

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 2/20 0.38
MAP3K5 Q99683 2/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NAMPT P43490 1/20 0.35
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
POLB P06746 3/20 0.34
HDAC3 O15379 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
SCHEMBL4393766 0.90 ALDH1A1 (0.38) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL3833014 0.89 RAB9A (0.41) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL4793494 0.88 RET (0.36) KMT2ATSHRALDH1A1MEN1HSD17B10
SCHEMBL4391744 0.86 RAB9A (0.42) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL4396910 0.84 RAB9A (0.40) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL3833164 0.82 RAB9A (0.42) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL3826203 0.82 MAPK14 (0.43) NPC1RAB9AMAP3K5NAMPTKDM4E
SCHEMBL4391476 0.82 KMT2A (0.47) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL4402104 0.82 RAB9A (0.45) NPC1RAB9AKMT2AMAP3K5TSHR
SCHEMBL4396399 0.82 ADORA3 (0.46) NPC1RAB9AMAP3K5SMN1; SMN2PKM

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 NPC1 76/4885RAB9A 1214/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NPC1 308/4885RAB9A 1054/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NPC1 256/4885RAB9A 808/4885KMT2A 426/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NPC1 3748/4885RAB9A 2588/4885KMT2A 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.