SCHEMBL4300340

SCHEMBL4300340

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccccc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.69
NR4A2 P43354 3/20 0.53
AXL P30530 1/20 0.46
ACLY P53396 1/20 0.42
DHODH Q02127 1/20 0.41
CDK8 P49336 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PLA2G2A P14555 1/20 0.40
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4295703 0.92 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4292128 0.89 CHEK1 (0.67) CHEK1NR4A2AXL
SCHEMBL4296990 0.88 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4294428 0.88 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4294720 0.87 CHEK1 (0.62) CHEK1NR4A2ACLYDHODHCDK8
SCHEMBL4289781 0.87 CHEK1 (0.62) CHEK1NR4A2CDK8
SCHEMBL4291903 0.87 CHEK1 (0.62) CHEK1NR4A2CDK8PIM1PIM3
SCHEMBL4300984 0.87 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4288965 0.87 CHEK1 (0.50) CHEK1DHODH
SCHEMBL13659540 0.86 CHEK1 (0.73) CHEK1NR4A2DHODHPIM1PIM3

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 1/4885NR4A2 2243/4885AXL 1174/4885

“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.