SCHEMBL4125079

SCHEMBL4125079

NCc1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.68
CHEK1 O14757 2/20 0.59
CDK7 P50613 1/20 0.51

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
SCHEMBL29470244 0.81 ITK (1.00) ITKCHEK1
SCHEMBL145584 0.81 ITK (1.00) ITKCHEK1
SCHEMBL13655258 0.81 CLK3 (0.72) CHEK1CDK7
SCHEMBL4125841 0.80 ITK (1.00) ITK
SCHEMBL4130575 0.80 ITK (0.73) ITKCHEK1
SCHEMBL146834 0.79 CHEK1 (0.76) ITKCHEK1CDK7
SCHEMBL27708381 0.78 ITK (0.58) ITKCHEK1
SCHEMBL4120947 0.76 ITK (0.81) ITKCHEK1CDK7
SCHEMBL5637088 0.76 ITK (0.68) ITKCHEK1
SCHEMBL4125482 0.75 ITK (0.81) ITKCHEK1

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 1186/4885CHEK1 1476/4885CDK7 2239/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 ITK 1042/4885CHEK1 600/4885CDK7 572/4885

“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.