SCHEMBL5952465

SCHEMBL5952465

FC(F)(F)Oc1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 5/20 0.49
TRPV1 Q8NER1 5/20 0.49
CBFB Q13951 2/20 0.49
ERBB2 P04626 1/20 0.47
CDK1 P06493 1/20 0.47
CHEK2 O96017 1/20 0.45
DGAT1 O75907 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE10A Q9Y233 1/20 0.42
ACP1 P24666 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHEK1 O14757 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL5952707 0.92 CYP1A2 (0.48) RUNX1TRPV1CBFBERBB2CDK1
SCHEMBL5952013 0.85 DGAT1 (0.57) TRPV1CBFBDGAT1KCNH2CHEK1
SCHEMBL5952470 0.85 NPC1 (0.55) RUNX1CHEK2DGAT1PDE10ACHEK1
SCHEMBL5952146 0.85 PDE10A (0.53) CHEK2DGAT1KCNH2PDE10ACYP1A2
SCHEMBL4916396 0.85 PDE10A (0.53) CHEK2DGAT1KCNH2PDE10ACYP1A2
SCHEMBL5952104 0.84 NPC1 (0.52) TRPV1CBFBERBB2CDK1CHEK2
SCHEMBL5953232 0.82 ITK (0.52) CBFBDGAT1KCNH2PDE10ACHEK1
SCHEMBL5951223 0.82 MEN1 (0.50) CBFBERBB2CDK1CHEK2DGAT1
SCHEMBL5952686 0.82 NPC1 (0.50) TRPV1CBFBERBB2CDK1CHEK2
SCHEMBL5953355 0.81 PDPK1 (0.61) TRPV1CBFBDGAT1KCNH2PDE10A

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 12 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-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 RUNX1 3214/4885TRPV1 1073/4885CBFB 3643/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RUNX1 2068/4885TRPV1 1294/4885CBFB 4136/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 RUNX1 1085/4885TRPV1 1136/4885CBFB 2803/4885

“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.