SCHEMBL4399151

SCHEMBL4399151

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCCc4ccccn4)nn(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CTNNB1 P35222 2/20 0.43
TCF7L2 Q9NQB0 2/20 0.43
P2RY14 Q15391 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAMPT P43490 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL4400654 0.89 SMN1; SMN2 (0.41) CTNNB1TCF7L2RAB9ANPC1SMN1; SMN2
SCHEMBL5823134 0.89 MAPT (0.47) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4396440 0.89 ALDH1A1 (0.48) CTNNB1TCF7L2RAB9ANPC1SMN1; SMN2
SCHEMBL4396840 0.81 P2RY14 (0.48) P2RY14RAB9ANPC1KMT2AMEN1
SCHEMBL4400724 0.80 P2RY14 (0.49) P2RY14RAB9ANPC1ALDH1A1
SCHEMBL4793209 0.78 ALDH1A1 (0.49) TP53SMN1; SMN2NAMPTKMT2AMEN1
SCHEMBL24273068 0.78 PTGER4 (0.53) SMN1; SMN2KMT2AMEN1TDP1ALDH1A1
SCHEMBL4391894 0.76 P2RY14 (0.42) P2RY14NAMPTKMT2AMEN1GAA
SCHEMBL4391355 0.76 TP53 (0.47) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4396932 0.75 ADORA3 (0.44) TP53P2RY14RAB9ANPC1KMT2A

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 TP53 3010/4885CTNNB1 1857/4885TCF7L2 3415/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TP53 3491/4885CTNNB1 1908/4885TCF7L2 2901/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP TP53 1365/4885CTNNB1 750/4885TCF7L2 968/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP TP53 305/4885CTNNB1 3523/4885TCF7L2 4057/4885

“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.