SCHEMBL4291201

SCHEMBL4291201

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CN(C)CCN(C)C)cc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.57
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NR4A2 P43354 1/20 0.35
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
PARP1 P09874 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL4302681 0.95 CHEK1 (0.55) CHEK1NR4A2
SCHEMBL4302677 0.92 CHEK1 (0.54) CHEK1NR4A2
SCHEMBL5017177 0.90 CHEK1 (0.44) CHEK1BCHEACHETTKAURKB
SCHEMBL4302910 0.87 CHEK1 (0.52) CHEK1BCHEACHENR4A2
SCHEMBL4297838 0.86 CHEK1 (0.56) CHEK1NR4A2
SCHEMBL4296990 0.84 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4300984 0.83 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4295703 0.82 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4300340 0.81 CHEK1 (0.69) CHEK1NR4A2
SCHEMBL4294122 0.80 CHEK1 (0.53) 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 1/4885BCHE 3799/4885ACHE 3564/4885

“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.