SCHEMBL2280765

SCHEMBL2280765

CC(C)C[C@H](NCC=Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.54
JAK2 O60674 2/20 0.54
JAK3 P52333 1/20 0.54
CHEK1 O14757 11/20 0.52
MEN1 O00255 1/20 0.49
EIF2AK2 P19525 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL2278223 1.00 IKBKB (0.54) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2278196 1.00 IKBKB (0.54) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2280739 1.00 IKBKB (0.54) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2283053 0.94 IKBKB (0.55) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2338849 0.94 IKBKB (0.55) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2283093 0.94 IKBKB (0.55) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2345748 0.88 IKBKB (0.43) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2345709 0.88 IKBKB (0.43) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2345734 0.88 IKBKB (0.43) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL2347791 0.88 CHEK1 (0.49) IKBKBJAK2JAK3CHEK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP claimed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 IKBKB 5/4885JAK2 984/4885JAK3 338/4885

“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.