SCHEMBL490615

SCHEMBL490615

NC(=O)Nc1sc(-c2ccc(C=CC[C@@H](NC3CCCC3)C(=O)O)cc2)cc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.58
IKBKB O14920 3/20 0.52
JAK2 O60674 2/20 0.52
JAK3 P52333 1/20 0.52
MEN1 O00255 1/20 0.47
EIF2AK2 P19525 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CDK2AP1 O14519 1/20 0.47

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
SCHEMBL490880 1.00 CHEK1 (0.58) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL3605673 0.99 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL490678 0.99 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL490680 0.99 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1147933 0.93 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL490772 0.88 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL490771 0.88 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1148165 0.88 CHEK1 (0.48) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL490464 0.87 CHEK1 (0.45) CHEK1IKBKBJAK2JAK3CDK2AP1
SCHEMBL1148035 0.87 CHEK1 (0.51) CHEK1IKBKBJAK2JAK3MEN1

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
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US claimed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US claimed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP 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.