SCHEMBL5951733

SCHEMBL5951733

CNC(=O)Nc1c[nH]nc1-c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
RAF1 P04049 2/20 0.39
FLT3 P36888 1/20 0.38
NPBWR1 P48145 3/20 0.38
KDR P35968 5/20 0.37
TEK Q02763 5/20 0.37
MAPT P10636 1/20 0.37
BRAF P15056 1/20 0.37
PDPK1 O15530 1/20 0.37
MMP1 P03956 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL13374038 0.89 DYRK1A (0.44) CHEK1RAF1FLT3NPBWR1KDR
SCHEMBL5952391 0.89 ALDH1A1 (0.41) CHEK1FLT3NPBWR1KDRTEK
SCHEMBL13374039 0.84 PDPK1 (0.46) CHEK1PDPK1MEN1KMT2ADGAT1
SCHEMBL13374061 0.81 KMT2A (0.41) CHEK1MAPTMEN1KMT2ADGAT1
SCHEMBL5952107 0.80 HPSE (0.50) MAPT
SCHEMBL13375256 0.80 MAPT (0.41) MAPTMEN1KMT2ADGAT1KCNH2
SCHEMBL6695582 0.79 PARP1 (0.45) CHEK1FLT3NPBWR1PDPK1DGAT1
SCHEMBL5953048 0.79 HPSE (0.41) CHEK1FLT3
SCHEMBL5952114 0.77 HPSE (0.41) CHEK1RAF1MAPTDGAT1
SCHEMBL5953123 0.76 HPSE (0.41) CHEK1MAPTDGAT1

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-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 (2 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 CHEK1 286/4885RAF1 245/4885FLT3 161/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885RAF1 151/4885FLT3 176/4885

“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.