SCHEMBL4296700

SCHEMBL4296700

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.64
ACVR1 Q04771 1/20 0.42
NR4A2 P43354 2/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 2/20 0.41
JAK2 O60674 2/20 0.40
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 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 0.85 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4292128 0.85 CHEK1 (0.67) CHEK1NR4A2
SCHEMBL4296775 0.85 CHEK1 (0.67) CHEK1NR4A2
SCHEMBL4300340 0.84 CHEK1 (0.69) CHEK1NR4A2
SCHEMBL4289781 0.83 CHEK1 (0.62) CHEK1NR4A2
SCHEMBL4297274 0.82 CHEK1 (0.61) CHEK1ACVR1NR4A2
SCHEMBL13659609 0.82 CHEK1 (0.65) CHEK1ROCK2ROCK1
SCHEMBL13659597 0.82 CHEK1 (0.63) CHEK1NR4A2JAK2
SCHEMBL4294428 0.82 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4296990 0.82 CHEK1 (0.65) 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 1/4885ACVR1 1644/4885NR4A2 2243/4885

“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.