SCHEMBL3817641

SCHEMBL3817641

CC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C(C)C)cc3)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 6/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
AURKA O14965 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
RET P07949 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3823247 0.91 MAPT (0.45) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL3819845 0.89 NTRK1 (0.39) DEGS1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3820439 0.87 RET (0.47) NTRK1RET
SCHEMBL3820803 0.87 KMT2A (0.43) RAB9ANPC1KMT2ANTRK1RET
SCHEMBL4389693 0.85 MCHR1 (0.36) DEGS1MAPTTP53RAB9ANPC1
SCHEMBL4393068 0.84 KCNQ3 (0.41) RAB9ANPC1KMT2ANTRK1AURKA
SCHEMBL3820620 0.82 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2PKM
SCHEMBL3812216 0.82 LMNA (0.50) MAPTRAB9ANPC1KMT2AL3MBTL1
SCHEMBL3819417 0.82 RAB9A (0.41) MAPTRAB9ANPC1SMN1; SMN2PKM
SCHEMBL3814978 0.80 RAB9A (0.47) MAPTTP53RAB9ANPC1SMN1; SMN2

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
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
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 DEGS1 4636/4885MAPT 7/4885TP53 3010/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A DEGS1 2004/4885MAPT 101/4885TP53 3491/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP DEGS1 4324/4885MAPT 9/4885TP53 1365/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP DEGS1 3882/4885MAPT 1982/4885TP53 305/4885

“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.