SCHEMBL4292128

SCHEMBL4292128

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccncc3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.67
NR4A2 P43354 3/20 0.48
AXL P30530 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NEK1 Q96PY6 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38

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 0.90 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4300340 0.89 CHEK1 (0.69) CHEK1NR4A2AXL
SCHEMBL4289781 0.87 CHEK1 (0.62) CHEK1NR4A2NEK1GABRA1GABRG2
SCHEMBL4294428 0.86 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4296990 0.86 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4296700 0.85 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4300984 0.85 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4287614 0.85 CHEK1 (0.64) CHEK1NR4A2AXL
SCHEMBL4296775 0.84 CHEK1 (0.67) CHEK1NR4A2
SCHEMBL13659597 0.84 CHEK1 (0.63) 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 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.