SCHEMBL5952925

SCHEMBL5952925

O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
ITK Q08881 1/20 0.52
CHEK1 O14757 4/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 3/20 0.48
MAPK3 P27361 2/20 0.48
PDPK1 O15530 1/20 0.47
CDK1 P06493 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
PAK4 O96013 1/20 0.46
CDK2 P24941 1/20 0.46
TTK P33981 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4920631 0.91 FLT3 (0.55) FLT3ITKCHEK1MAPTLMNA
SCHEMBL4914894 0.87 ITK (0.67) FLT3ITKCHEK1MAPK1MAPK3
SCHEMBL14214668 0.87 FLT3 (0.58) FLT3ITKCHEK1MAPK1MAPK3
SCHEMBL14214712 0.86 FLT3 (0.57) FLT3ITKCHEK1MAPK1MAPK3
SCHEMBL5951894 0.86 FLT3 (0.57) FLT3ITKCHEK1LMNAMAPK1
SCHEMBL4921916 0.86 MAPK1 (0.65) FLT3ITKCHEK1MAPK1MAPK3
SCHEMBL4923270 0.86 FLT3 (0.57) FLT3ITKCHEK1MAPTMAPK1
SCHEMBL5952802 0.85 SMN1; SMN2 (0.61) FLT3ITKCHEK1MAPK1MAPK3
SCHEMBL5953181 0.85 FLT3 (0.54) FLT3ITKCHEK1LMNAMAPK1
SCHEMBL5952992 0.83 FLT3 (0.56) FLT3ITKCHEK1MAPK1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 FLT3 161/4885ITK 979/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885ITK 1317/4885CHEK1 321/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FLT3 80/4885ITK 417/4885CHEK1 423/4885

“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.