SCHEMBL4394568

SCHEMBL4394568

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
RET P07949 2/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
PHGDH O43175 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37
KMT2A Q03164 3/20 0.37
HPGDS O60760 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
P2RY14 Q15391 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNJ6 P48051 1/20 0.36

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
SCHEMBL4793477 0.88 HTR3A (0.42) HTR3ARETKDRKCNJ6KCNJ5
SCHEMBL4393075 0.86 KDM4E (0.42) HTR3ANPC1RAB9AHPGDCYP1A2
SCHEMBL4400221 0.85 P2RY14 (0.50) RETNPC1RAB9AHPGDCYP1A2
SCHEMBL4396800 0.85 RAB9A (0.39) RETNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4396932 0.85 ADORA3 (0.44) HTR3ANPC1RAB9ATP53HTR1F
SCHEMBL4397264 0.84 NPC1 (0.39) HTR3ANPC1RAB9AHPGDCYP1A2
SCHEMBL4394567 0.83 RAB9A (0.42) RETKDRNPC1RAB9AHPGD
SCHEMBL4400654 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4392995 0.78 ROCK2 (0.44) NPC1RAB9AKMT2A
SCHEMBL4794383 0.74 CCNE1 (0.41) HTR3ANPC1RAB9AHPGDKMT2A

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 HTR3A 1096/4885RET 4670/4885KDR 4737/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HTR3A 593/4885RET 4669/4885KDR 4849/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HTR3A 1935/4885RET 4484/4885KDR 4872/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP HTR3A 3763/4885RET 1981/4885KDR 3446/4885

“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.