SCHEMBL4396440

SCHEMBL4396440

CCCn1nc(C(=O)NCCc2ccccn2)c2ccc(NC(=O)c3ccc(C)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 1/20 0.41
RAB9A P51151 3/20 0.41
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
NPC1 O15118 2/20 0.40
CASP1 P29466 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
SCHEMBL4399151 0.89 TP53 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4793209 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4400654 0.89 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4398483 0.79 NPC1 (0.42) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5823134 0.78 MAPT (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL4391749 0.78 RAB9A (0.43) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4391355 0.77 TP53 (0.47) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4399421 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13947349 0.74 RAB9A (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4396932 0.73 ADORA3 (0.44) MEN1KMT2ARAB9ANPC1ADORA2A

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 ALDH1A1 2105/4885MEN1 2823/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885MEN1 4522/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885MEN1 1620/4885KMT2A 426/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ALDH1A1 1240/4885MEN1 4297/4885KMT2A 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.