SCHEMBL490912

SCHEMBL490912

CC(C)(C)OC(=O)N[C@H](CCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.54
CDK2AP1 O14519 1/20 0.43
IKBKB O14920 3/20 0.43
JAK2 O60674 2/20 0.43
MEN1 O00255 1/20 0.43
EIF2AK2 P19525 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
JAK3 P52333 1/20 0.42

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
SCHEMBL491104 0.88 CHEK1 (0.52) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL490813 0.88 CHEK1 (0.52) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL491057 0.85 CHEK1 (0.57) CHEK1CDK2AP1IKBKBJAK2MEN1
SCHEMBL490597 0.84 CHEK1 (0.47) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL490600 0.84 CHEK1 (0.47) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL491117 0.84 CHEK1 (0.61) CHEK1CDK2AP1IKBKBJAK2MEN1
SCHEMBL2453429 0.84 CHEK1 (0.61) CHEK1CDK2AP1IKBKBJAK2MEN1
SCHEMBL1148190 0.82 CHEK1 (0.45) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1148191 0.82 CHEK1 (0.45) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2278399 0.81 CHEK1 (0.59) CHEK1CDK2AP1IKBKBJAK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 EP disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK CHEK1 856/4885CDK2AP1 1083/4885IKBKB 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.