SCHEMBL3812466

SCHEMBL3812466

Cc1ccc(C(=O)Nc2ncc3c(C(=O)NCc4ccc(C(F)(F)F)nc4)cn(C(C)(C)C)c3n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
NTRK1 P04629 4/20 0.38
ITK Q08881 2/20 0.37
RORC P51449 1/20 0.37
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
GLS O94925 1/20 0.35
KCNQ4 P56696 1/20 0.35
SCN3A Q9NY46 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34

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
SCHEMBL3822101 0.90 KMT2A (0.40) DGAT2NTRK1ITKRORCTRPV1
SCHEMBL3816625 0.88 TRPV1 (0.38) DGAT2NTRK1ITKRORCKCNQ3
SCHEMBL3823614 0.87 KMT2A (0.45)
SCHEMBL3817845 0.85 KCNQ3 (0.41) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3821128 0.84 KCNQ3 (0.40) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3819957 0.83 KCNQ3 (0.40) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3811826 0.83 KMT2A (0.39) NTRK1RORCKCNQ3KCNQ2KCNQ5
SCHEMBL3812547 0.83 MAPK14 (0.39) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3820791 0.81 KCNQ3 (0.38) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4393068 0.81 KCNQ3 (0.41) NTRK1KCNQ3KCNQ2KCNE1KCNQ1

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
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
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 DGAT2 420/4885NTRK1 4221/4885ITK 4653/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A DGAT2 105/4885NTRK1 2829/4885ITK 4171/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP DGAT2 399/4885NTRK1 3782/4885ITK 4667/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP DGAT2 3222/4885NTRK1 3372/4885ITK 1088/4885

“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.