SCHEMBL4391740

SCHEMBL4391740

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N(C)C)nn(C(C)C)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 1/20 0.38
MAP3K5 Q99683 2/20 0.38
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1F P30939 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 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
SCHEMBL4391749 0.81 RAB9A (0.43) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4400724 0.79 P2RY14 (0.49) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4396773 0.78 NAMPT (0.43) RAB9ANPC1ADORA2APOLBMAP3K5
SCHEMBL3833978 0.72 RAB9A (0.43) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL3961436 0.72 RAB9A (0.42) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4391824 0.70 RAB9A (0.45) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4398483 0.70 NPC1 (0.42) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4401795 0.69 RAB9A (0.40) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4396800 0.69 RAB9A (0.39) RAB9ANPC1ADORA2AADORA1ADORA3
SCHEMBL4393075 0.68 KDM4E (0.42) RAB9ANPC1SMN1; SMN2TSHRKDM4E

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 RAB9A 1214/4885NPC1 76/4885ADORA2A 458/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885NPC1 308/4885ADORA2A 286/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885NPC1 256/4885ADORA2A 570/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885NPC1 3748/4885ADORA2A 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.