SCHEMBL4289781

SCHEMBL4289781

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3cccnc3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.62
NR4A2 P43354 4/20 0.58
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NEK1 Q96PY6 1/20 0.45
SLC2A1 P11166 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK8 P49336 1/20 0.40
CFTR P13569 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL4297039 0.87 DHODH (0.48) CHEK1NR4A2MKNK1MKNK2PRMT5
SCHEMBL4292128 0.87 CHEK1 (0.67) CHEK1NR4A2NEK1GABRA1GABRG2
SCHEMBL4300340 0.87 CHEK1 (0.69) CHEK1NR4A2CDK8
SCHEMBL4295703 0.84 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4296700 0.83 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4291903 0.82 CHEK1 (0.62) CHEK1NR4A2CDK8
SCHEMBL4294720 0.82 CHEK1 (0.62) CHEK1NR4A2CDK8
SCHEMBL4291902 0.81 CHEK1 (0.59) CHEK1CYP11B1CYP11B2DYRK1APRMT5
SCHEMBL4300292 0.81 CHEK1 (0.70) CHEK1NR4A2
SCHEMBL4296775 0.81 CHEK1 (0.67) CHEK1NR4A2

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 4 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
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 1/4885NR4A2 2243/4885CYP19A1 2833/4885

“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.