SCHEMBL5952013

SCHEMBL5952013

FC(F)(F)c1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.57
KCNH2 Q12809 5/20 0.57
NPBWR1 P48145 9/20 0.53
KDR P35968 1/20 0.51
PDPK1 O15530 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
TNKS O95271 1/20 0.48
WNT3A P56704 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
SOAT1 P35610 2/20 0.47
CBFB Q13951 1/20 0.46
CHEK1 O14757 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
SCHEMBL5953355 0.91 PDPK1 (0.61) DGAT1KCNH2NPBWR1KDRPDPK1
SCHEMBL5952873 0.88 CNR1 (0.56) DGAT1KCNH2NPBWR1KDRPDPK1
SCHEMBL5952146 0.88 PDE10A (0.53) DGAT1KCNH2NPBWR1CHEK1
SCHEMBL4916396 0.88 PDE10A (0.53) DGAT1KCNH2NPBWR1CHEK1
SCHEMBL5952104 0.87 NPC1 (0.52) DGAT1KCNH2KDRTRPV1TNKS
SCHEMBL5952465 0.85 RUNX1 (0.49) DGAT1KCNH2TRPV1CBFBCHEK1
SCHEMBL5953232 0.84 ITK (0.52) DGAT1KCNH2NPBWR1KDRTNKS
SCHEMBL5952686 0.84 NPC1 (0.50) NPBWR1KDRTRPV1TNKSTNKS2
SCHEMBL5951223 0.84 MEN1 (0.50) DGAT1NPBWR1KDRTNKSTNKS2
SCHEMBL5952707 0.81 CYP1A2 (0.48) DGAT1KCNH2PDPK1TRPV1CBFB

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
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-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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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 DGAT1 4531/4885KCNH2 627/4885NPBWR1 4340/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A DGAT1 4380/4885KCNH2 665/4885NPBWR1 3858/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 DGAT1 3639/4885KCNH2 708/4885NPBWR1 2749/4885

“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.