SCHEMBL4296007

SCHEMBL4296007

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(C3CC3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.68
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
ZAP70 P43403 4/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL4290127 0.86 CHEK1 (0.48) CHEK1
SCHEMBL4287647 0.81 CHEK1 (1.00) CHEK1PIM1PIM3
SCHEMBL4291070 0.81 CHEK1 (1.00) CHEK1
SCHEMBL13659540 0.80 CHEK1 (0.73) CHEK1PIM1PIM3
SCHEMBL4295703 0.79 CHEK1 (0.71) CHEK1PDK2PDK4
SCHEMBL4300340 0.78 CHEK1 (0.69) CHEK1PIM1PIM3
SCHEMBL4292638 0.78 CHEK1 (0.69) CHEK1PIM1PIM3
SCHEMBL4300292 0.76 CHEK1 (0.70) CHEK1PIM1PIM3
SCHEMBL4292128 0.76 CHEK1 (0.67) CHEK1
SCHEMBL4296775 0.76 CHEK1 (0.67) CHEK1

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 1/4885TLR9 2765/4885TLR8 3937/4885

“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.