SCHEMBL13701622

SCHEMBL13701622

CC(C)(C)OC(=O)NCCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.78
CDK7 P50613 7/20 0.75

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
SCHEMBL4289301 0.89 CHEK1 (0.85) CHEK1CDK7
SCHEMBL13701591 0.88 CHEK1 (0.79) CHEK1CDK7
SCHEMBL4296848 0.88 CHEK1 (1.00) CHEK1CDK7
SCHEMBL1704885 0.87 CHEK1 (1.00) CHEK1CDK7
SCHEMBL1704106 0.87 CHEK1 (1.00) CHEK1CDK7
SCHEMBL1704907 0.86 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4293118 0.86 CHEK1 (0.88) CHEK1CDK7
SCHEMBL4294499 0.86 CHEK1 (0.84) CHEK1CDK7
SCHEMBL4293160 0.86 CHEK1 (0.82) CHEK1CDK7
SCHEMBL4290285 0.84 CHEK1 (1.00) CHEK1CDK7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233896-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 CHEK1 1/4885CDK7 39/4885

“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.