SCHEMBL4337024

SCHEMBL4337024

CC(C)(C)OC(=O)c1[nH]c2cccc(F)c2c1Nc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
HTT P42858 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MAPT P10636 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL4338511 0.84 JAK2 (0.36) BUB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4342779 0.83 MAPKAPK2 (0.37) BUB1MAPKAPK2JAK2JAK1TYK2
SCHEMBL4339503 0.83 BUB1 (0.43) BUB1KDM4EALDH1A1MAPKAPK2JAK2
Trifluoroacetic Acid SCHEMBL4338507 0.80 UBE2N (0.42) BUB1KDM4EMAPKAPK2JAK2JAK1
SCHEMBL8050044 0.78 GABRA1 (0.43) BUB1KDM4EMAPKAPK2MAPTABCB1
SCHEMBL4335763 0.77 MAPKAPK2 (0.38) BUB1ALDH1A1MAPKAPK2JAK2JAK1
SCHEMBL14174307 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL8050551 0.74 KIF11 (0.43) JAK2JAK1TYK2MAPTCHEK1
SCHEMBL8038779 0.74 ALOX15 (0.40) KDM4EALDH1A1HPGD
SCHEMBL4351594 0.73 TUBB4A (0.58) KDM4EALDH1A1HPGDHSD17B10HTT

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 11 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
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
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

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 BUB1 2982/4885KDM4E 243/4885ALDH1A1 1468/4885
US-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 BUB1 3190/4885KDM4E 117/4885ALDH1A1 1578/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 BUB1 3260/4885KDM4E 93/4885ALDH1A1 1900/4885

“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.