SCHEMBL490803

SCHEMBL490803

NC(=O)Nc1sc(-c2ccc(OCC[C@H](NC3CCCCC3)C(=O)O)cc2)cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.61
IKBKB O14920 1/20 0.51
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
CDK2AP1 O14519 1/20 0.50

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
SCHEMBL2459997 0.99 CHEK1 (0.61) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL2453425 0.99 CHEK1 (0.61) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL11904464 0.92 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL491057 0.90 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL2457614 0.86 CHEK1 (0.49) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL2457191 0.84 CHEK1 (0.64) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL2455943 0.84 CHEK1 (0.64) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL2456287 0.83 CHEK1 (0.68) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL490561 0.81 CHEK1 (0.58) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL491021 0.81 CHEK1 (0.70) CHEK1IKBKBJAK2JAK3

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
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
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US 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 856/4885IKBKB 1/4885JAK2 1292/4885

“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.