SCHEMBL4294720

SCHEMBL4294720

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3cccc(CO)c3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.62
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
CDK8 P49336 2/20 0.42
PRKACA P17612 2/20 0.41
PRKACG P22612 2/20 0.41
PRKACB P22694 2/20 0.41
NR4A2 P43354 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
DHODH Q02127 1/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL4296990 0.91 CHEK1 (0.65) CHEK1IKBKBCHUKNR4A2CA12
SCHEMBL4297135 0.89 CHEK1 (0.56) CHEK1CDK8PRKACAPRKACGPRKACB
SCHEMBL4297118 0.87 ACMSD (0.49) CHEK1IKBKBCHUKCDK8PRKACA
SCHEMBL4300340 0.87 CHEK1 (0.69) CHEK1CDK8NR4A2DHODHACLY
SCHEMBL4300984 0.85 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4302677 0.85 CHEK1 (0.54) CHEK1CDK8PRKACAPRKACGPRKACB
SCHEMBL4294122 0.84 CHEK1 (0.53) CHEK1PRKACAPRKACGPRKACBNR4A2
SCHEMBL4295703 0.84 CHEK1 (0.71) CHEK1NR4A2CA12CA2CA7
SCHEMBL4302910 0.84 CHEK1 (0.52) CHEK1PRKACAPRKACGPRKACBNR4A2
SCHEMBL4291903 0.84 CHEK1 (0.62) CHEK1CDK8NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CHEK1 1/4885IKBKB 423/4885CHUK 152/4885

“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.