SCHEMBL4400221

SCHEMBL4400221

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)nn(CC4CCC4)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.50
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RET P07949 3/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
SGK1 O00141 1/20 0.39
MAPK14 Q16539 1/20 0.39
OPRK1 P41145 1/20 0.38
USP2 O75604 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37
MAPT P10636 1/20 0.37
CRHR1 P34998 1/20 0.37

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
SCHEMBL4792082 0.88 CCNE1 (0.40) P2RY14RETLCKSRCSGK1
SCHEMBL3833238 0.87 P2RY14 (0.47) P2RY14NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4396398 0.86 P2RY14 (0.49) P2RY14NPC1RAB9ARETLCK
SCHEMBL4393075 0.86 KDM4E (0.42) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL4394568 0.85 HTR3A (0.42) P2RY14NPC1RAB9AHPGDCYP1A2
SCHEMBL4397264 0.84 NPC1 (0.39) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL4396932 0.83 ADORA3 (0.44) P2RY14NPC1RAB9AOPRK1ADORA1
SCHEMBL4394567 0.81 RAB9A (0.42) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL3833232 0.75 L3MBTL1 (0.38) P2RY14SMN1; SMN2RETLCKSRC
SCHEMBL4794383 0.74 CCNE1 (0.41) NPC1RAB9AHPGDMAPT

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 P2RY14 3461/4885NPC1 76/4885RAB9A 1214/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A P2RY14 3056/4885NPC1 308/4885RAB9A 1054/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP P2RY14 3825/4885NPC1 256/4885RAB9A 808/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP P2RY14 1188/4885NPC1 3748/4885RAB9A 2588/4885

“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.