SCHEMBL5953060

SCHEMBL5953060

O=C(NCc1ccc(F)cc1F)c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.57
PDPK1 O15530 1/20 0.54
CHEK1 O14757 8/20 0.51
ITK Q08881 1/20 0.49
CDK1 P06493 1/20 0.48
PAK4 O96013 1/20 0.47
CDK2 P24941 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
CSNK1D P48730 1/20 0.46
PPARG P37231 1/20 0.46
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5952461 0.92 FLT3 (0.60) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5952475 0.91 FLT3 (0.56) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5951921 0.91 FLT3 (0.58) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5952801 0.89 FLT3 (0.58) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL13373660 0.86 FLT3 (0.56) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5951723 0.86 FLT3 (0.60) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5951454 0.86 FLT3 (0.60) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL5952741 0.85 FLT3 (0.59) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL13373565 0.85 CSNK1D (0.62) FLT3PDPK1CHEK1ITKCDK1
SCHEMBL4914894 0.85 ITK (0.67) FLT3PDPK1CHEK1ITKCDK1

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 13 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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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-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 161/4885PDPK1 291/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885PDPK1 216/4885CHEK1 321/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FLT3 80/4885PDPK1 584/4885CHEK1 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.