SCHEMBL4351610

SCHEMBL4351610

Cn1c(C(=O)O)c(Nc2ccncc2)c2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
TYK2 P29597 3/20 0.41
HTT P42858 2/20 0.41
JAK1 P23458 2/20 0.41
NOD2 Q9HC29 1/20 0.41
GSK3B P49841 3/20 0.40
CDC42BPA Q5VT25 3/20 0.40
AURKB Q96GD4 3/20 0.40
CDC7 O00311 2/20 0.40
HIPK4 Q8NE63 2/20 0.40
PBK Q96KB5 2/20 0.40
PLK3 Q9H4B4 2/20 0.40
CHEK2 O96017 2/20 0.40
GSK3A P49840 2/20 0.40
ROCK1 Q13464 2/20 0.40
STK17A Q9UEE5 2/20 0.40
CSNK1G3 Q9Y6M4 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL4352730 0.94 MAPKAPK2 (0.38) JAK2TYK2HTTJAK1NOD2
SCHEMBL4335763 0.84 MAPKAPK2 (0.38) JAK2TYK2HTTJAK1NOD2
SCHEMBL4352734 0.82 MAPKAPK2 (0.36) JAK2TYK2HTTJAK1NOD2
SCHEMBL13758173 0.80 PTGER4 (0.49) MEN1KMT2AALDH1A1TSHRPTGER4
SCHEMBL4339781 0.77 MAPKAPK2 (0.37) JAK2TYK2HTTJAK1NOD2
SCHEMBL4334572 0.76 KDM4E (0.43) HTTMEN1KMT2AALDH1A1PTGER4
Fumaric Acid SCHEMBL4496356 0.75 SLC6A2 (0.55) MEN1KMT2AALDH1A1PTGER4
Maleic Acid SCHEMBL4496354 0.75 SLC6A2 (0.55) MEN1KMT2AALDH1A1PTGER4
SCHEMBL28207997 0.73 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4339503 0.72 BUB1 (0.43) JAK2TYK2HTTJAK1NOD2

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 19 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 claimed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US claimed
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 claimed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
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
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
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-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 (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-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 JAK2 36/4885TYK2 372/4885HTT 3048/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 JAK2 26/4885TYK2 377/4885HTT 2945/4885

“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.