SCHEMBL5952707

SCHEMBL5952707

FC(F)(F)Oc1cccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RUNX1 Q01196 3/20 0.47
CBFB Q13951 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
ERBB2 P04626 1/20 0.45
CDK1 P06493 1/20 0.45
DHODH Q02127 1/20 0.45
PDPK1 O15530 1/20 0.43
HDAC6 Q9UBN7 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42

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
SCHEMBL5952465 0.92 RUNX1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1
SCHEMBL5951585 0.86 NPC1 (0.54) CYP1A2CYP2C9RUNX1PDPK1HDAC6
SCHEMBL5953355 0.84 PDPK1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19CBFB
SCHEMBL5952146 0.83 PDE10A (0.53) CYP1A2CYP3A4CYP2C9CYP2C19DGAT1
SCHEMBL4916396 0.83 PDE10A (0.53) CYP1A2CYP3A4CYP2C9CYP2C19DGAT1
SCHEMBL5952514 0.82 PTGES (0.52) DHODHHDAC6HDAC3HDAC4HDAC1
SCHEMBL5952013 0.81 DGAT1 (0.57) CBFBTRPV1PDPK1DGAT1KCNH2
SCHEMBL5952578 0.80 MEN1 (0.51) CYP3A4CBFBPDE10A
SCHEMBL5953158 0.80 PDE10A (0.51) CBFBPDE10A
SCHEMBL5953027 0.80 CDK4 (0.61) PDE10A

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-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
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 CYP1A2 354/4885CYP3A4 114/4885CYP2C9 15/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CYP1A2 283/4885CYP3A4 104/4885CYP2C9 16/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 CYP1A2 1105/4885CYP3A4 1062/4885CYP2C9 1217/4885

“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.