SCHEMBL4392995

SCHEMBL4392995

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.44
NAMPT P43490 3/20 0.39
KMT2A Q03164 1/20 0.38
ADORA2B P29275 3/20 0.38
ADORA2A P29274 1/20 0.38
PDE2A O00408 1/20 0.37
MAPK1 P28482 1/20 0.37
RIPK1 Q13546 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CSF1R P07333 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
SCHEMBL4793179 0.90 ROCK2 (0.41) ROCK2NAMPTKMT2AADORA2BADORA2A
SCHEMBL4399226 0.89 NAMPT (0.41) ROCK2NAMPTKMT2AADORA2BADORA2A
SCHEMBL4391894 0.89 P2RY14 (0.42) ROCK2NAMPTKMT2A
SCHEMBL4399421 0.89 ALDH1A1 (0.40) ROCK2NAMPTKMT2AADORA2BADORA2A
SCHEMBL4396487 0.87 KMT2A (0.40) ROCK2NAMPTKMT2AADORA2ARIPK1
SCHEMBL4396800 0.86 RAB9A (0.39) KMT2AADORA2ANPC1RAB9A
SCHEMBL4398524 0.85 NAMPT (0.41) ROCK2NAMPTKMT2AADORA2BADORA2A
SCHEMBL4396773 0.85 NAMPT (0.43) ROCK2NAMPTKMT2AADORA2BADORA2A
SCHEMBL5821211 0.79 ADORA2B (0.39) NAMPTADORA2BADORA2ARIPK1
SCHEMBL4394568 0.78 HTR3A (0.42) KMT2ANPC1RAB9A

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 ROCK2 376/4885NAMPT 1238/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ROCK2 459/4885NAMPT 1355/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ROCK2 601/4885NAMPT 2406/4885KMT2A 426/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ROCK2 2231/4885NAMPT 353/4885KMT2A 4307/4885

“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.