SCHEMBL4093923

SCHEMBL4093923

CN(C(=O)OC(C)(C)C)C1CCC(CNc2nccc(-c3cc4ccccc4s3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.48
CHUK O15111 9/20 0.48
IKBKG Q9Y6K9 9/20 0.48
VCP P55072 6/20 0.44
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCZ Q05513 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PIK3CD O00329 1/20 0.35

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
SCHEMBL3965709 0.86 ACACB (0.51) IKBKBCHUKIKBKGVCPMEN1
SCHEMBL3965706 0.86 ACACB (0.51) IKBKBCHUKIKBKGVCPMEN1
SCHEMBL13768223 0.77 IKBKB (0.50) IKBKBCHUKIKBKGVCPMEN1
SCHEMBL3969609 0.77 IKBKB (0.50) IKBKBCHUKIKBKGVCPMEN1
SCHEMBL13590647 0.71 ACACB (0.71) ACACBACACA
SCHEMBL3957883 0.68 VCP (0.58) VCPACACBACACA
SCHEMBL3645812 0.67 CYP11B2 (0.57) VCP
SCHEMBL3470744 0.66 IKBKB (0.54) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL2581731 0.65 VCP (0.54) VCPACACBACACA
SCHEMBL18480598 0.65 CSNK1A1 (0.44) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG IKBKB 2/4885CHUK 5/4885IKBKG 3/4885

“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.