SCHEMBL4391476

SCHEMBL4391476

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ccccc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
BRD4 O60885 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
ADORA2A P29274 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 2/20 0.42
MAPK11 Q15759 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
NAMPT P43490 1/20 0.41
PTGER4 P35408 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
PPARG P37231 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4400720 0.92 NAMPT (0.48) KMT2ARAB9ANPC1LMNAMEN1
SCHEMBL5822970 0.88 MAPT (0.48) KMT2ABRD4RXFP1ADORA2ALMNA
SCHEMBL4397267 0.87 HPGD (0.47) KMT2AADORA2ARAB9ANPC1LMNA
SCHEMBL4391744 0.87 RAB9A (0.42) KMT2ABRD4ADORA2ARAB9ANPC1
SCHEMBL3832183 0.85 TDP1 (0.53) KMT2AADORA2ARAB9ANPC1MEN1
SCHEMBL3833014 0.85 RAB9A (0.41) KMT2AADORA2ARAB9ANPC1LMNA
SCHEMBL4402104 0.85 RAB9A (0.45) KMT2ARXFP1ADORA2ARAB9ANPC1
SCHEMBL4393053 0.85 ADORA2A (0.42) KMT2AADORA2ARAB9ANPC1POLB
SCHEMBL4396910 0.85 RAB9A (0.40) KMT2AADORA2ARAB9ANPC1LMNA
SCHEMBL3833079 0.84 POLB (0.39) KMT2AADORA2ARAB9ANPC1POLB

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 KMT2A 651/4885BRD4 870/4885RXFP1 1551/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885BRD4 679/4885RXFP1 3033/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885BRD4 2163/4885RXFP1 2490/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KMT2A 4307/4885BRD4 640/4885RXFP1 4825/4885

“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.