SCHEMBL5952533

SCHEMBL5952533

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3nc4cc(OCCN5CCOCC5)ccc4[nH]3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
RUNX1 Q01196 3/20 0.42
BRD4 O60885 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 2/20 0.40
FGFR1 P11362 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ITK Q08881 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
CHEK2 O96017 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
PARP1 P09874 1/20 0.38
LTA4H P09960 1/20 0.38
GPR55 Q9Y2T6 1/20 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
SCHEMBL5953288 0.87 ACHE (0.43) ACHERUNX1PDGFRBPDGFRAKDR
SCHEMBL5952897 0.79 ACHE (0.47) ACHERUNX1PDGFRBPDGFRAKDR
SCHEMBL5953297 0.79 CFTR (0.43) BRD4PARP1
SCHEMBL5951987 0.79 MAPK1 (0.39) BRD4ITKCHEK2PARP1
SCHEMBL5952658 0.76 HDAC1 (0.41) BRD4PDGFRBKDRABHD6
SCHEMBL5953340 0.76 ESR2 (0.37) BRD4ITKCHEK2PARP1
SCHEMBL5952667 0.76 SMN1; SMN2 (0.39) PDGFRBKDRGPR119ABHD6
SCHEMBL213144 0.73 PDE3B (0.50) KDRPDE3BPDE3AGPR119CHEK2
SCHEMBL5952294 0.73 FGFR1 (0.65) ACHERUNX1PDGFRBPDGFRAKDR
SCHEMBL11929929 0.70 ABHD6 (0.70) ABHD6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 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 ACHE 1685/4885RUNX1 3214/4885BRD4 605/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ACHE 2505/4885RUNX1 2068/4885BRD4 716/4885

“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.