SCHEMBL6248356

SCHEMBL6248356

CC(=O)OCCCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(C#N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 1/20 0.34
ITK Q08881 10/20 0.33
CTSS P25774 1/20 0.33
ADORA2A P29274 1/20 0.33
ACSL1 P33121 1/20 0.33
PDPK1 O15530 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
PHKG2 P15735 1/20 0.32
MARK3 P27448 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
NEK4 P51957 1/20 0.32

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
SCHEMBL6243656 0.89 CYP3A4 (0.73) CYP3A4CYP11B2CYP11B1ITK
SCHEMBL6244070 0.83 CYP3A4 (0.55) CYP3A4CYP11B2CYP11B1ITK
SCHEMBL16696061 0.81 CYP3A4 (0.53) CYP3A4CTSS
SCHEMBL16696062 0.80 CYP3A4 (0.62) CYP3A4
SCHEMBL6489644 0.77 SMN1; SMN2 (0.43) ITKADORA2A
SCHEMBL16696174 0.77 CYP3A4 (0.48) CYP3A4CTSS
SCHEMBL6489831 0.76 ADORA2A (0.43) ITKADORA2APDPK1MAP4K4PAK4
SCHEMBL15045878 0.76 CYP3A4 (0.79) CYP3A4
SCHEMBL9977927 0.76 CYP3A4 (0.87) CYP3A4
SCHEMBL6245908 0.75 CYP3A4 (0.74) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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 (1 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP3A4 215/4885CYP11B2 1442/4885CYP11B1 1681/4885

“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.