SCHEMBL3597309

SCHEMBL3597309

NC(=O)Nc1sc(-c2ccc(C=CCC(N)C(=O)O)cc2Cl)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.47
GRIK2 Q13002 7/20 0.47
IKBKB O14920 5/20 0.45
JAK2 O60674 3/20 0.45
JAK3 P52333 1/20 0.45
GRIK3 Q13003 2/20 0.41
MEN1 O00255 1/20 0.41
EIF2AK2 P19525 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHEK1 O14757 5/20 0.39

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
SCHEMBL490966 1.00 GRIK1 (0.47) GRIK1GRIK2IKBKBJAK2JAK3
SCHEMBL490960 1.00 GRIK1 (0.47) GRIK1GRIK2IKBKBJAK2JAK3
SCHEMBL3597305 1.00 GRIK1 (0.47) GRIK1GRIK2IKBKBJAK2JAK3
SCHEMBL490657 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL490659 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL490562 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL3597502 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL3597506 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL491067 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL490560 0.85 IKBKB (0.58) IKBKBJAK2JAK3MEN1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK GRIK1 1436/4885GRIK2 2364/4885IKBKB 1/4885

“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.