SCHEMBL2279699

SCHEMBL2279699

CC(C)C[C@@H](NCCCCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.55
MAPK14 Q16539 1/20 0.48
CDK2AP1 O14519 1/20 0.45
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
SCHEMBL2279696 1.00 CHEK1 (0.55) CHEK1MAPK14CDK2AP1IKBKBJAK2
SCHEMBL2278395 0.97 CHEK1 (0.59) CHEK1MAPK14CDK2AP1IKBKBJAK2
SCHEMBL2278399 0.97 CHEK1 (0.59) CHEK1MAPK14CDK2AP1IKBKBJAK2
SCHEMBL2283601 0.90 MAPK14 (0.46) CHEK1MAPK14CDK2AP1IKBKB
SCHEMBL2283608 0.90 MAPK14 (0.46) CHEK1MAPK14CDK2AP1IKBKB
SCHEMBL2280598 0.87 CHEK1 (0.56) CHEK1MAPK14IKBKBJAK2MEN1
SCHEMBL2280599 0.87 CHEK1 (0.56) CHEK1MAPK14IKBKBJAK2MEN1
SCHEMBL2282357 0.87 CHEK1 (0.46) CHEK1MAPK14CDK2AP1IKBKB
SCHEMBL2282350 0.87 CHEK1 (0.46) CHEK1MAPK14CDK2AP1IKBKB
SCHEMBL2281018 0.86 CHEK1 (0.63) CHEK1IKBKBJAK2MEN1EIF2AK2

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 CHEK1 204/4885MAPK14 654/4885CDK2AP1 587/4885

“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.