SCHEMBL4291940

SCHEMBL4291940

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.61
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
JAK3 P52333 1/20 0.43
MELK Q14680 1/20 0.43
KIT P10721 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
FYN P06241 1/20 0.42
CDK8 P49336 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
MAP4K4 O95819 1/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FGFR1 P11362 1/20 0.39
NEK2 P51955 1/20 0.39
MAPK15 Q8TD08 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
SCHEMBL4294478 0.90 KMT2A (0.48) CHEK1HSD17B1HSD17B2JAK3MELK
SCHEMBL4300340 0.86 CHEK1 (0.69) CHEK1CDK8NR4A2
SCHEMBL13662659 0.85 HSD17B1 (0.50) CHEK1HSD17B1HSD17B2JAK3MELK
SCHEMBL4295703 0.83 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4294720 0.83 CHEK1 (0.62) CHEK1CDK8NR4A2
SCHEMBL4291903 0.83 CHEK1 (0.62) CHEK1CDK8NR4A2
SCHEMBL4289781 0.81 CHEK1 (0.62) CHEK1CDK8DYRK1ANR4A2
SCHEMBL4300984 0.81 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4292128 0.80 CHEK1 (0.67) CHEK1NR4A2
SCHEMBL4300292 0.80 CHEK1 (0.70) CHEK1ALDH1A1NR4A2

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 1/4885HSD17B1 3698/4885HSD17B2 3888/4885

“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.