SCHEMBL490614

SCHEMBL490614

NC(=O)Nc1cc(-c2ccc(OCC[C@H](N)C(=O)O)cc2)sc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.63
MAP3K7 O43318 1/20 0.51
CHEK1 O14757 7/20 0.50
PTPN1 P18031 2/20 0.47
PTPRA P18433 1/20 0.47
PTPRF P10586 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
SCHEMBL491021 0.85 CHEK1 (0.70) IKBKBCHEK1
SCHEMBL490619 0.85 CHEK1 (0.70) IKBKBCHEK1
SCHEMBL2457605 0.84 IKBKB (0.53) IKBKBMAP3K7CHEK1
SCHEMBL491181 0.81 IKBKB (0.66) IKBKBMAP3K7CHEK1PTPN1PTPRA
SCHEMBL1385148 0.81 CHEK1 (0.73) IKBKBMAP3K7CHEK1
SCHEMBL4093365 0.80 CHEK1 (0.73) IKBKBMAP3K7CHEK1
SCHEMBL490632 0.80 CHEK1 (0.69) IKBKBCHEK1
SCHEMBL490930 0.80 CHEK1 (0.69) IKBKBCHEK1
SCHEMBL7471787 0.80 MAP3K7 (0.62) IKBKBMAP3K7CHEK1
SCHEMBL4088607 0.80 CHEK1 (0.74) IKBKBMAP3K7CHEK1

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 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

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 IKBKB 1/4885MAP3K7 305/4885CHEK1 856/4885

“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.