SCHEMBL20120064

SCHEMBL20120064

COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3cccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
PLK4 O00444 1/20 0.45
DYRK3 O43781 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
RET P07949 1/20 0.45
ROS1 P08922 1/20 0.45
FGFR1 P11362 1/20 0.45
FER P16591 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
SYK P43405 1/20 0.45
CLK2 P49760 1/20 0.45
PLK1 P53350 1/20 0.45
CDK5 Q00535 1/20 0.45
ACVR1 Q04771 1/20 0.45
STK3 Q13188 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL20120063 0.84 MAPT (0.51) MAPTDYRK1ATP53LMNAPOLB
SCHEMBL20120162 0.84 MAPT (0.45) MAPTDYRK1ATP53LMNAPOLB
SCHEMBL20120158 0.84 KDR (0.46) MAPTKDRSYKCLK2DYRK1A
SCHEMBL20113798 0.84 MAPT (0.52) MAPTTP53LMNAPOLBTHRB
SCHEMBL20113831 0.84 TP53 (0.56) MAPTTP53LMNAPOLBTHRB
SCHEMBL20120164 0.83 TP53 (0.50) MAPTTP53LMNAPOLBTHRB
SCHEMBL20114214 0.83 MAPT (0.54) MAPTTP53LMNAPOLBMEN1
SCHEMBL20113801 0.82 MAPT (0.55) MAPTTP53LMNAPOLBTHRB
SCHEMBL20114212 0.82 MAPT (0.61) MAPTTP53LMNAPOLBTHRB
SCHEMBL20113789 0.81 TP53 (0.64) 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 MAPT 4790/4885PLK4 4090/4885DYRK3 4810/4885

“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.