SCHEMBL4393068

SCHEMBL4393068

Cc1ccc(C(=O)Nc2ncc3c(C(=O)NC(C)C)cn(C(C)(C)C)c3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNE1 P15382 2/20 0.41
KCNQ1 P51787 2/20 0.41
KCNQ5 Q9NR82 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NTRK1 P04629 5/20 0.36
MAPK14 Q16539 3/20 0.35
LCK P06239 3/20 0.35
AURKA O14965 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
DGAT1 O75907 1/20 0.35
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.34
DDR1 Q08345 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
SCHEMBL3820803 0.92 KMT2A (0.43) KCNQ3KCNQ2NTRK1MAPK14NPC1
SCHEMBL3819957 0.89 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3817845 0.88 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3823247 0.87 MAPT (0.45) NTRK1NPC1RAB9AKMT2A
SCHEMBL3812547 0.86 MAPK14 (0.39) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3813866 0.86 MCHR1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3821128 0.86 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3817641 0.84 DEGS1 (0.39) NTRK1AURKANPC1RAB9ARET
SCHEMBL3820791 0.84 KCNQ3 (0.38) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3819845 0.83 NTRK1 (0.39) NTRK1NPC1RAB9ARETKMT2A

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 4 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
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 KCNQ3 822/4885KCNQ2 860/4885KCNE1 2386/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KCNQ3 170/4885KCNQ2 205/4885KCNE1 1415/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KCNQ3 854/4885KCNQ2 752/4885KCNE1 3262/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KCNQ3 907/4885KCNQ2 520/4885KCNE1 1788/4885

“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.