SCHEMBL4396773

SCHEMBL4396773

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC(C)c4cccnc4)nn(C(C)C)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
ADORA2B P29275 3/20 0.41
ADORA2A P29274 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RIPK1 Q13546 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK2 O75116 3/20 0.38
CSF1R P07333 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 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
SCHEMBL4398524 0.88 NAMPT (0.41) NAMPTADORA2BADORA2ANPC1RAB9A
SCHEMBL4399226 0.87 NAMPT (0.41) NAMPTADORA2BADORA2ANPC1RAB9A
SCHEMBL4399421 0.86 ALDH1A1 (0.40) NAMPTADORA2BADORA2ANPC1RAB9A
SCHEMBL4391894 0.85 P2RY14 (0.42) NAMPTROCK2ALDH1A1KMT2A
SCHEMBL4392995 0.85 ROCK2 (0.44) NAMPTADORA2BADORA2ANPC1RAB9A
SCHEMBL4396487 0.83 KMT2A (0.40) NAMPTADORA2ARIPK1ROCK2ALDH1A1
SCHEMBL4391598 0.79 RIPK1 (0.43) NAMPTADORA2BADORA2ANPC1RAB9A
SCHEMBL4391740 0.78 RAB9A (0.43) ADORA2ANPC1RAB9AMAP3K5ALDH1A1
SCHEMBL5821211 0.77 ADORA2B (0.39) NAMPTADORA2BADORA2ARIPK1ALDH1A1
SCHEMBL4793179 0.75 ROCK2 (0.41) NAMPTADORA2BADORA2ARIPK1ROCK2

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 6 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
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 NAMPT 1238/4885ADORA2B 678/4885ADORA2A 458/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NAMPT 1355/4885ADORA2B 745/4885ADORA2A 286/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NAMPT 2406/4885ADORA2B 1587/4885ADORA2A 570/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NAMPT 353/4885ADORA2B 3835/4885ADORA2A 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.