SCHEMBL4393053

SCHEMBL4393053

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ncccc4C)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.42
ADORA1 P30542 9/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL5822367 0.89 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BMAPT
SCHEMBL4397267 0.87 HPGD (0.47) ADORA2AADORA1KMT2ANPC1RAB9A
SCHEMBL4391476 0.85 KMT2A (0.47) ADORA2AKMT2AMAPTNPC1RAB9A
SCHEMBL4400720 0.84 NAMPT (0.48) KMT2ANPC1RAB9AHPGDPOLB
SCHEMBL4401748 0.83 NPC1 (0.44) ADORA2AKMT2ANPC1RAB9APOLB
SCHEMBL3833079 0.83 POLB (0.39) ADORA2AADORA1ADORA3KMT2AMAPT
SCHEMBL4391744 0.83 RAB9A (0.42) ADORA2AADORA1ADORA3KMT2AMAPT
SCHEMBL4905992 0.83 NPC1 (0.49) ADORA2AADORA3KMT2AMAPTNPC1
SCHEMBL3832183 0.82 TDP1 (0.53) ADORA2AADORA1KMT2AMAPTNPC1
SCHEMBL3833014 0.82 RAB9A (0.41) ADORA2AADORA1ADORA3KMT2AMAPT

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 5 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
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 ADORA2A 458/4885ADORA1 309/4885ADORA3 570/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ADORA2A 286/4885ADORA1 683/4885ADORA3 781/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ADORA2A 570/4885ADORA1 491/4885ADORA3 1476/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ADORA2A 2936/4885ADORA1 4306/4885ADORA3 3654/4885

“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.