SCHEMBL5952544

SCHEMBL5952544

OCc1cccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
JAK2 O60674 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
JAK1 P23458 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
TYK2 P29597 1/20 0.45
CCND3 P30281 1/20 0.45
JAK3 P52333 1/20 0.45
CBFB Q13951 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
AURKB Q96GD4 1/20 0.44
PDE10A Q9Y233 1/20 0.43
BRAF P15056 1/20 0.42
TGFB2 P61812 1/20 0.42
DHODH Q02127 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 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
SCHEMBL5952084 0.91 CBFB (0.46) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL6639296 0.87 PIM1 (0.42) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5952146 0.86 PDE10A (0.53) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL4916396 0.86 PDE10A (0.53) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5953027 0.85 CDK4 (0.61) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5953158 0.83 PDE10A (0.51) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5952578 0.83 MEN1 (0.51) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5953232 0.82 ITK (0.52) JAK2CDK4CCNA2JAK1CCND1
SCHEMBL5952514 0.82 PTGES (0.52) DHODHNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL5953449 0.81 KDM4E (0.47) JAK2CDK4CCNA2JAK1CCND1

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 FGFR1 583/4885JAK2 145/4885CDK4 44/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885JAK2 156/4885CDK4 51/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FGFR1 48/4885JAK2 6/4885CDK4 24/4885

“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.