SCHEMBL20120158

SCHEMBL20120158

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
NEK4 P51957 1/20 0.46
MAP4K2 Q12851 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
STK17A Q9UEE5 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
MAPT P10636 8/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 6/20 0.43
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20120162 0.88 MAPT (0.45) MAPTTP53LMNAPOLBTHRB
SCHEMBL20114214 0.87 MAPT (0.54) MAPTTP53LMNAPOLBMEN1
SCHEMBL20113831 0.86 TP53 (0.56) MAPTTP53LMNAPOLBTHRB
SCHEMBL20113798 0.86 MAPT (0.52) MAPTTP53LMNAPOLBTHRB
SCHEMBL20120164 0.86 TP53 (0.50) MAPTTP53LMNAPOLBTHRB
SCHEMBL20113805 0.84 MAPT (0.47) MAPTTP53LMNAPOLBTHRB
SCHEMBL20120064 0.84 MAPT (0.47) KDRCLK2HIPK4SRPK1CLK4
SCHEMBL20113830 0.83 MAPT (0.49) MAPTTP53LMNAPOLBTHRB
SCHEMBL20120156 0.83 MAPT (0.49) MAPTTP53LMNAPOLBTHRB
SCHEMBL20120063 0.81 MAPT (0.51) MAPTTP53LMNAPOLBTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
WO-2018081378-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 WO 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 (1 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-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G KDR 4837/4885CLK2 1371/4885IRAK1 4656/4885

“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.