SCHEMBL4394567

SCHEMBL4394567

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA1 P30542 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
ELANE P08246 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ADRA2A P08913 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL5822296 0.87 CCNE1 (0.42) RAB9ANPC1CYP1A2RETKDR
SCHEMBL4391824 0.85 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ADORA1MAP3K5
SCHEMBL3961441 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDADORA1
SCHEMBL3961436 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HPGDADORA1
SCHEMBL4394568 0.83 HTR3A (0.42) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL4393075 0.82 KDM4E (0.42) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL4401795 0.81 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL4394525 0.81 RAB9A (0.40) RAB9ANPC1SMN1; SMN2ADORA1LMNA
SCHEMBL4400221 0.81 P2RY14 (0.50) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL4397264 0.80 NPC1 (0.39) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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 RAB9A 1214/4885NPC1 76/4885SMN1; SMN2 614/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885NPC1 308/4885SMN1; SMN2 1292/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885NPC1 256/4885SMN1; SMN2 31/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885NPC1 3748/4885SMN1; SMN2 2432/4885

“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.