SCHEMBL2280895

SCHEMBL2280895

CC(C)C[C@@H](NCCc1cccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c1)C(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.50
IKBKB O14920 3/20 0.46
JAK2 O60674 2/20 0.46
JAK3 P52333 1/20 0.46
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
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

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
SCHEMBL2280892 1.00 CHEK1 (0.50) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2280599 0.94 CHEK1 (0.56) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2280598 0.94 CHEK1 (0.56) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2282387 0.92 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2282382 0.92 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2348778 0.89 CHEK1 (0.51) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2286875 0.88 CHEK1 (0.45) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2286880 0.88 CHEK1 (0.45) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2280633 0.88 CHEK1 (0.47) CHEK1IKBKBJAK2JAK3MAPK14
SCHEMBL2285982 0.88 CHEK1 (0.47) CHEK1IKBKBJAK2JAK3MAPK14

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 6 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 claimed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US claimed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US claimed
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 204/4885IKBKB 5/4885JAK2 984/4885

“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.