SCHEMBL5953232

SCHEMBL5953232

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.52
CDK4 P11802 4/20 0.49
CCNA2 P20248 4/20 0.49
CCND1 P24385 4/20 0.49
CDK2 P24941 4/20 0.49
CCND3 P30281 4/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
CHEK1 O14757 4/20 0.46
SCD O00767 1/20 0.45
KDR P35968 1/20 0.45
TNKS O95271 1/20 0.45
GUSB P08236 1/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PDE10A Q9Y233 1/20 0.44

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 0.91 PDE10A (0.53) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5952146 0.91 PDE10A (0.53) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5953027 0.90 CDK4 (0.61) ITKCDK4CCNA2CCND1CDK2
SCHEMBL5952686 0.88 NPC1 (0.50) CHEK1KDRTNKSPARP1TNKS2
SCHEMBL5951223 0.88 MEN1 (0.50) DGAT1CHEK1KDRTNKSGUSB
SCHEMBL5952104 0.88 NPC1 (0.52) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5952084 0.87 CBFB (0.46) ITKCDK4CCNA2CCND1CDK2
SCHEMBL5951528 0.85 NPBWR1 (0.49) PDE10AF9F10F11F7
SCHEMBL5952013 0.84 DGAT1 (0.57) DGAT1KCNH2CHEK1KDRTNKS
SCHEMBL5952119 0.84 HDAC3 (0.45) ITKCDK4CCNA2CCND1CDK2

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 ITK 979/4885CDK4 44/4885CCNA2 606/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ITK 1317/4885CDK4 51/4885CCNA2 543/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 ITK 417/4885CDK4 24/4885CCNA2 128/4885

“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.