SCHEMBL3833238

SCHEMBL3833238

CCCCCNC(=O)c1nn(CC2CCC2)c2nc(NC(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
RET P07949 2/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MERTK Q12866 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MLYCD O95822 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL3833232 0.89 L3MBTL1 (0.38) P2RY14L3MBTL1RETLCKSRC
SCHEMBL4400221 0.87 P2RY14 (0.50) P2RY14RETLCKSRCSMN1; SMN2
SCHEMBL4396398 0.82 P2RY14 (0.49) P2RY14L3MBTL1RETLCKSRC
SCHEMBL4792082 0.75 CCNE1 (0.40) P2RY14RETLCKSRCMERTK
SCHEMBL4398483 0.74 NPC1 (0.42) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL3961441 0.74 RAB9A (0.41) L3MBTL1RETKDM4EHSD17B10ADORA3
SCHEMBL4393075 0.73 KDM4E (0.42) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL4394568 0.73 HTR3A (0.42) P2RY14RETSMN1; SMN2MEN1KMT2A
SCHEMBL4396440 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10SMN1; SMN2
SCHEMBL4397264 0.72 NPC1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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 P2RY14 3461/4885L3MBTL1 3099/4885RET 4670/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A P2RY14 3056/4885L3MBTL1 2622/4885RET 4669/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP P2RY14 3825/4885L3MBTL1 2561/4885RET 4484/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP P2RY14 1188/4885L3MBTL1 4768/4885RET 1981/4885

“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.