SCHEMBL4334840

SCHEMBL4334840

O=C(O)c1[nH]c2ccc(F)cc2c1Nc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MAPT P10636 2/20 0.49
CLK1 P49759 1/20 0.49
CFD P00746 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 6/20 0.45
GAA P10253 3/20 0.45
ACHE P22303 1/20 0.43
CHUK O15111 1/20 0.43
LMNA P02545 3/20 0.42
MAP2 P11137 1/20 0.42
GFER P55789 2/20 0.42
ALDH1A1 P00352 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 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
SCHEMBL4339856 0.90 KMT2A (0.42) KMT2AMAPTCLK1CFDKDM4E
SCHEMBL4348744 0.85 MAP2 (0.50) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL4340304 0.83 KMT2A (0.58) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL13758174 0.82 TBXAS1 (0.38) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL6436600 0.81 GAA (0.60) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL4332758 0.81 MEN1 (0.57) KMT2AMAPTKDM4EMEN1GAA
Potassium SCHEMBL4334708 0.80 MEN1 (0.56) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL4334694 0.80 MEN1 (0.56) KMT2AMAPTKDM4EMEN1GAA
Trifluoroacetic Acid SCHEMBL4340318 0.79 GAA (0.53) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL4343865 0.78 MAPT (0.47) KMT2AMAPTCLK1KDM4EMEN1

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 10 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
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 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
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US 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 KMT2A 598/4885MAPT 3119/4885CLK1 4735/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 KMT2A 529/4885MAPT 3138/4885CLK1 4747/4885

“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.