SCHEMBL4297274

SCHEMBL4297274

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.61
BRD4 O60885 2/20 0.46
ACVR1 Q04771 1/20 0.45
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
GSK3B P49841 6/20 0.42
DYRK1A Q13627 6/20 0.42
MET P08581 1/20 0.41
WNT1 P04628 3/20 0.41
AURKA O14965 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
NR4A2 P43354 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 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 0.83 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4296700 0.82 CHEK1 (0.64) CHEK1ACVR1NR4A2
SCHEMBL4292128 0.82 CHEK1 (0.67) CHEK1TTKAURKBINCENPNR4A2
SCHEMBL4300340 0.82 CHEK1 (0.69) CHEK1NR4A2PIM1
SCHEMBL4289781 0.81 CHEK1 (0.62) CHEK1PRMT5WDR77DYRK1ANR4A2
SCHEMBL4296775 0.80 CHEK1 (0.67) CHEK1NR4A2
SCHEMBL4294428 0.79 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4296990 0.79 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4289505 0.79 CHEK1 (0.57) CHEK1BRD4
SCHEMBL4298955 0.78 CHEK1 (0.59) CHEK1PIM1PIM2

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 9 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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 1/4885BRD4 89/4885ACVR1 1644/4885

“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.