SCHEMBL561409

SCHEMBL561409

CC(C)CC(NCc1ccc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
IKBKB O14920 19/20 0.44

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
SCHEMBL560693 1.00 CHEK1 (0.45) CHEK1IKBKB
SCHEMBL560692 1.00 CHEK1 (0.45) CHEK1IKBKB
SCHEMBL2286027 0.86 CHEK1 (0.62) CHEK1IKBKB
SCHEMBL560379 0.86 CHEK1 (0.47) CHEK1IKBKB
SCHEMBL2286032 0.86 CHEK1 (0.62) CHEK1IKBKB
SCHEMBL561298 0.86 CHEK1 (0.47) CHEK1IKBKB
SCHEMBL560380 0.86 CHEK1 (0.47) CHEK1IKBKB
SCHEMBL560857 0.85 CHEK1 (0.48) CHEK1IKBKB
SCHEMBL560856 0.85 CHEK1 (0.48) CHEK1IKBKB
SCHEMBL693888 0.85 CHEK1 (0.48) CHEK1IKBKB

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-2421844-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2012-02-29 EP disclosed
US-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LD. (GB) 2012-02-09 US disclosed
WO-2010122294-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2010-10-28 WO 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-20120035251-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE IKBKE, IKBKB, NFKBIA CHEK1 253/4885IKBKB 2/4885

“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.