SCHEMBL3816617

SCHEMBL3816617

Cc1ccc(C(=O)Nc2ncc3c(C(=O)NCc4ccncc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
CYP3A4 P08684 2/20 0.48
MMP2 P08253 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
MMP13 P45452 1/20 0.48
MAPK14 Q16539 1/20 0.48
NAMPT P43490 4/20 0.47
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL3821662 0.91 KMT2A (0.58) SMN1; SMN2CYP3A4HTTMMP13NAMPT
SCHEMBL3813353 0.87 MAPT (0.45) SMN1; SMN2CYP3A4KMT2AHPGDCYP1A2
SCHEMBL3813358 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4MAPK14KMT2AHPGD
SCHEMBL3814978 0.86 RAB9A (0.47) SMN1; SMN2CYP3A4MMP13KMT2AHPGD
SCHEMBL3822101 0.85 KMT2A (0.40) SMN1; SMN2MAPK14NAMPTKMT2ANPC1
SCHEMBL4400720 0.85 NAMPT (0.48) SMN1; SMN2CYP3A4MMP2STAT3HTT
SCHEMBL3814274 0.85 RAB9A (0.44) SMN1; SMN2KMT2AHPGDNPC1RAB9A
SCHEMBL3818713 0.84 MAPT (0.43) SMN1; SMN2KMT2AHPGDMEN1NPC1
SCHEMBL3820867 0.84 NPC1 (0.42) SMN1; SMN2KMT2AHPGDMEN1POLB
SCHEMBL3820495 0.83 KMT2A (0.56) SMN1; SMN2CYP3A4HTTMMP13NAMPT

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 9 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
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP 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
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO 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 SMN1; SMN2 614/4885CYP3A4 4192/4885MMP2 869/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SMN1; SMN2 1292/4885CYP3A4 4660/4885MMP2 1135/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SMN1; SMN2 31/4885CYP3A4 4715/4885MMP2 2260/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP SMN1; SMN2 2432/4885CYP3A4 338/4885MMP2 3408/4885

“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.