SCHEMBL5953355

SCHEMBL5953355

FC(F)(F)c1cccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.61
DGAT1 O75907 4/20 0.55
KCNH2 Q12809 4/20 0.55
NPBWR1 P48145 6/20 0.54
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CBFB Q13951 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
KDR P35968 1/20 0.45
SOAT1 P35610 1/20 0.43
PDE10A Q9Y233 1/20 0.43
JAK2 O60674 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
JAK1 P23458 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL5952013 0.91 DGAT1 (0.57) PDPK1DGAT1KCNH2NPBWR1CBFB
SCHEMBL5952146 0.86 PDE10A (0.53) DGAT1KCNH2NPBWR1CYP1A2CYP3A4
SCHEMBL4916396 0.86 PDE10A (0.53) DGAT1KCNH2NPBWR1CYP1A2CYP3A4
SCHEMBL5952707 0.84 CYP1A2 (0.48) PDPK1DGAT1KCNH2CYP1A2CYP3A4
SCHEMBL5953027 0.83 CDK4 (0.61) EGLN1KDRPDE10AJAK2CDK4
SCHEMBL5953158 0.83 PDE10A (0.51) NPBWR1CBFBKDRPDE10AJAK2
SCHEMBL5952578 0.83 MEN1 (0.51) NPBWR1CYP3A4CBFBKDRPDE10A
SCHEMBL5952104 0.82 NPC1 (0.52) DGAT1KCNH2CBFBKDRPDE10A
SCHEMBL5952873 0.82 CNR1 (0.56) PDPK1DGAT1KCNH2NPBWR1KDR
SCHEMBL5952465 0.81 RUNX1 (0.49) DGAT1KCNH2CYP1A2CYP3A4CYP2C9

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 PDPK1 291/4885DGAT1 4531/4885KCNH2 627/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDPK1 216/4885DGAT1 4380/4885KCNH2 665/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PDPK1 584/4885DGAT1 3639/4885KCNH2 708/4885

“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.