SCHEMBL2081699

SCHEMBL2081699

Nc1ccc2c(c1)CC(=O)NC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.44
TDP2 O95551 3/20 0.44
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.40
GAA P10253 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 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
SCHEMBL21247645 0.92 CA9 (0.44) CA9TDP2LMNAMAPTRAB9A
SCHEMBL30839539 0.92 CA9 (0.44) CA9TDP2LMNAMAPTRAB9A
SCHEMBL30468395 0.81 CA9 (0.46) CA9TDP2LMNAMAPTRAB9A
SCHEMBL2061785 0.81 CA9 (0.46) CA9TDP2LMNAMAPTRAB9A
SCHEMBL2616913 0.80 TDP2 (0.54) CA9TDP2LMNAMAPTRAB9A
SCHEMBL2061036 0.80 CA9 (0.43) CA9TDP2LMNAMAPTRAB9A
SCHEMBL2062134 0.79 CA9 (0.56) CA9TDP2LMNAMAPTRAB9A
SCHEMBL2061223 0.78 CA9 (0.46) CA9TDP2LMNAMAPTRAB9A
SCHEMBL6583487 0.77 CA9 (0.49) CA9TDP2LMNAMAPTRAB9A
SCHEMBL17244491 0.77 METAP1 (0.44) TDP2MAPTRAB9AKDM4EALDH1A1

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
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CA9 2906/4885TDP2 793/4885LMNA 4717/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CA9 3103/4885TDP2 380/4885LMNA 4046/4885

“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.