SCHEMBL14448754

SCHEMBL14448754

CC#Cc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.51
PDK2 Q15119 9/20 0.51
PDK3 Q15120 9/20 0.51
PDK4 Q16654 9/20 0.51
TP53 P04637 2/20 0.46
JAK2 O60674 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KLK7 P49862 1/20 0.46
PARP14 Q460N5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL20821412 0.87 PDK1 (0.50) PDK1PDK2PDK3PDK4TP53
SCHEMBL28528551 0.83 ALDH1A1 (0.58) PDK1PDK2PDK3PDK4TP53
SCHEMBL9321672 0.81 PDK1 (0.51) PDK1PDK2PDK3PDK4TP53
SCHEMBL29824473 0.80 PDK1 (0.50) PDK1PDK2PDK3PDK4TP53
SCHEMBL4344024 0.80 PDK1 (0.70) PDK1PDK2PDK3PDK4TP53
SCHEMBL1542594 0.80 PDK1 (0.50) PDK1PDK2PDK3PDK4TP53
SCHEMBL11117971 0.80 ALDH1A1 (0.46) PDK1PDK2PDK3PDK4MAPT
SCHEMBL3926897 0.79 PDK1 (0.35) PDK1PDK2PDK3PDK4TP53
SCHEMBL12758952 0.79 PDK1 (0.44) PDK1PDK2PDK3PDK4TP53
SCHEMBL8626954 0.77 PDK1 (0.66) PDK1PDK2PDK3PDK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 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-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 PDK1 4424/4885PDK2 3189/4885PDK3 2815/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT PDK1 4587/4885PDK2 3257/4885PDK3 2887/4885

“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.