SCHEMBL5952497

SCHEMBL5952497

c1ccc2sc(-c3ccc4nc(-c5[nH]nc6ccccc56)[nH]c4c3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.41
KDR P35968 3/20 0.41
ERBB2 P04626 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 2/20 0.39
ERN1 O75460 1/20 0.39
CHEK1 O14757 3/20 0.38
RET P07949 3/20 0.38
ITK Q08881 2/20 0.38
FGFR1 P11362 2/20 0.38
FLT1 P17948 2/20 0.38
JAK2 O60674 2/20 0.38
CDK2 P24941 2/20 0.38
TYK2 P29597 2/20 0.38

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
SCHEMBL4916396 0.81 PDE10A (0.53) PDE10AMEN1KMT2ANPC1POLB
SCHEMBL5952146 0.81 PDE10A (0.53) PDE10AMEN1KMT2ANPC1POLB
SCHEMBL5952975 0.80 KDR (0.41) CDK1KDRERBB2PDE10AMEN1
SCHEMBL5951245 0.79 KDR (0.49) CDK1KDRERBB2PDE10AMEN1
SCHEMBL19523364 0.79 APP (0.43) PDE10AMEN1KMT2ANPC1POLB
SCHEMBL5951866 0.78 HDAC6 (0.41) CDK1KDRERBB2PDE10AMEN1
SCHEMBL5953232 0.78 ITK (0.52) KDRPDE10AMEN1KMT2ANPC1
SCHEMBL5951223 0.78 MEN1 (0.50) CDK1KDRERBB2PDE10AMEN1
SCHEMBL5952104 0.78 NPC1 (0.52) CDK1KDRERBB2PDE10AMEN1
SCHEMBL5952686 0.78 NPC1 (0.50) CDK1KDRERBB2PDE10AMEN1

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 15 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-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 CDK1 36/4885KDR 2231/4885ERBB2 388/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CDK1 5/4885KDR 2609/4885ERBB2 416/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 CDK1 15/4885KDR 1/4885ERBB2 13/4885

“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.