SCHEMBL4396399

SCHEMBL4396399

CCOC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.46
ELANE P08246 2/20 0.46
ADORA2A P29274 4/20 0.46
RAB9A P51151 3/20 0.45
HTT P42858 1/20 0.45
ADORA1 P30542 2/20 0.43
GAA P10253 1/20 0.42
PRTN3 P24158 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAP3K5 Q99683 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4391744 0.87 RAB9A (0.42) ADORA3ADORA2ARAB9AADORA1NPC1
SCHEMBL4402104 0.86 RAB9A (0.45) ADORA3ADORA2ARAB9AHTTADORA1
SCHEMBL3828097 0.85 RAB9A (0.41) ADORA3ADORA2ARAB9AADORA1NPC1
SCHEMBL3833014 0.85 RAB9A (0.41) ADORA3ADORA2ARAB9AHTTADORA1
SCHEMBL4393766 0.85 ALDH1A1 (0.38) ADORA3ADORA2ARAB9ANPC1LMNA
SCHEMBL3833164 0.84 RAB9A (0.42) ADORA3ADORA2ARAB9AADORA1NPC1
SCHEMBL4398009 0.84 RAB9A (0.40) ADORA3ADORA2ARAB9AHTTADORA1
SCHEMBL3833978 0.83 RAB9A (0.43) ADORA3ADORA2ARAB9AADORA1NPC1
SCHEMBL4399299 0.83 MAPT (0.44) ADORA3ADORA2ARAB9AHTTADORA1
SCHEMBL3830200 0.83 MAPT (0.44) ADORA3ADORA2ARAB9AHTTADORA1

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 4 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
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US 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 ADORA3 570/4885ELANE 2450/4885ADORA2A 458/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ADORA3 781/4885ELANE 1869/4885ADORA2A 286/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ADORA3 1476/4885ELANE 4119/4885ADORA2A 570/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ADORA3 3654/4885ELANE 3054/4885ADORA2A 2936/4885

“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.