SCHEMBL4344024

SCHEMBL4344024

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.70
PDK2 Q15119 1/20 0.70
PDK3 Q15120 1/20 0.70
PDK4 Q16654 1/20 0.70
GAA P10253 6/20 0.57
KDM4E B2RXH2 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
GLA P06280 1/20 0.51
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL8626954 0.92 PDK1 (0.66) PDK1PDK2PDK3PDK4GAA
SCHEMBL9131197 0.85 PDK1 (0.53) PDK1PDK2PDK3PDK4GAA
SCHEMBL9321672 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL6350007 0.83 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL20821412 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL29824473 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL1542594 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL7421740 0.81 PDK1 (0.68) PDK1PDK2PDK3PDK4GAA
SCHEMBL14448754 0.80 PDK1 (0.51) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL6858019 0.80 GAA (0.66) PDK1PDK2PDK3PDK4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP disclosed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US disclosed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US disclosed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
EP-1501796-B1 3-(PYRIDINYL-AMINO)-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2007-05-09 EP disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
EP-1501796-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals Inc. (US) 2005-02-02 EP disclosed
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-15 US disclosed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US disclosed
WO-2003091215-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO’ B! THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERIEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO disclosed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO disclosed
US-5883102-A Pharmaceutically active compounds ASTRA PHARMACEUTICALS LIMITED (GB) 1999-03-16 US disclosed
US-4873357-A Trifluoro acetyl-cyano-aniline intermediates for dopamine-βhydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-10-10 US disclosed
US-4719223-A ENZYME INHIBITORS, HYPOTENSIVE, CARDIOTONIC DIURETIC SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
EP-0221778-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-05-13 EP 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 (3 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-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors IL4, IL4I1, STAT4 PDK1 3926/4885PDK2 4021/4885PDK3 4270/4885
US-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 PDK1 4157/4885PDK2 4381/4885PDK3 4501/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 PDK1 3791/4885PDK2 4271/4885PDK3 4409/4885

“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.