SCHEMBL2283608

SCHEMBL2283608

CC(C)C[C@@H](NCCCCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(Cl)c1)C(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
CHEK1 O14757 15/20 0.43
IKBKB O14920 1/20 0.38
CDK2AP1 O14519 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL2283601 1.00 MAPK14 (0.46) MAPK14CHEK1IKBKBCDK2AP1MAPK13
SCHEMBL2282357 0.97 CHEK1 (0.46) MAPK14CHEK1IKBKBCDK2AP1MAPK13
SCHEMBL2282350 0.97 CHEK1 (0.46) MAPK14CHEK1IKBKBCDK2AP1MAPK13
SCHEMBL2279699 0.90 CHEK1 (0.55) MAPK14CHEK1IKBKBCDK2AP1
SCHEMBL2279696 0.90 CHEK1 (0.55) MAPK14CHEK1IKBKBCDK2AP1
SCHEMBL2280905 0.87 CHEK1 (0.48) CHEK1IKBKB
SCHEMBL2278399 0.87 CHEK1 (0.59) MAPK14CHEK1IKBKBCDK2AP1
SCHEMBL2278395 0.87 CHEK1 (0.59) MAPK14CHEK1IKBKBCDK2AP1
SCHEMBL2286875 0.86 CHEK1 (0.45) MAPK14CHEK1IKBKBMAPK13MAPK12
SCHEMBL2286880 0.86 CHEK1 (0.45) MAPK14CHEK1IKBKBMAPK13MAPK12

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
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 MAPK14 654/4885CHEK1 204/4885IKBKB 5/4885

“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.