SCHEMBL4134469

SCHEMBL4134469

O=C(O)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 1.00
MAP2K4 P45985 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MAPK1 P28482 1/20 0.60
MAPKAPK3 Q16644 1/20 0.60
MAPK6 Q16659 1/20 0.60

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
SCHEMBL4125482 0.90 ITK (0.81) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5638533 0.90 ITK (0.81) ITKMAP2K4CASP3SENP8SENP7
SCHEMBL5637043 0.87 ITK (0.77) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4114671 0.85 ITK (0.74) ITK
SCHEMBL29470244 0.80 ITK (1.00) ITK
SCHEMBL145584 0.80 ITK (1.00) ITK
SCHEMBL4121353 0.79 ITK (1.00) ITK
SCHEMBL3542400 0.79 ITK (0.69) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL30801248 0.79 ITK (0.69) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL1623341 0.78 ITK (0.63) ITKCASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633738-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS Aventis Pharma S.A. (FR) 2006-03-15 EP claimed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 US claimed
WO-2004096792-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-11-11 WO claimed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 US disclosed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 US disclosed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 US disclosed
EP-1633738-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS Aventis Pharma S.A. (FR) 2006-03-15 EP disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 US disclosed
WO-2004096792-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-11-11 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-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 ITK 1186/4885MAP2K4 1032/4885CASP3 3283/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 ITK 1042/4885MAP2K4 2245/4885CASP3 2355/4885

“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.