SCHEMBL4299052

SCHEMBL4299052

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(N4CCOCC4)nc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
MAP4K1 Q92918 1/20 0.45
ERN1 O75460 2/20 0.44
TDO2 P48775 1/20 0.42
CNR2 P34972 2/20 0.41
JAK2 O60674 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PDE10A Q9Y233 1/20 0.41
GRM2 Q14416 1/20 0.41
ZAP70 P43403 2/20 0.40
MAPT P10636 1/20 0.40
ATR Q13535 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
METAP2 P50579 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
SCHEMBL4297281 0.89 ERN1 (0.47) CHEK1MAP4K1ERN1TDO2CNR2
SCHEMBL4297137 0.81 CHEK1 (0.56) CHEK1ERN1JAK2
SCHEMBL13662653 0.81 ERN1 (0.52) CHEK1MAP4K1ERN1TDO2CNR2
SCHEMBL4298955 0.78 CHEK1 (0.59) CHEK1MAP4K1TLR8TLR7
SCHEMBL4297274 0.78 CHEK1 (0.61) CHEK1
SCHEMBL4295703 0.77 CHEK1 (0.71) CHEK1
SCHEMBL4289781 0.77 CHEK1 (0.62) CHEK1
SCHEMBL4296700 0.77 CHEK1 (0.64) CHEK1JAK2
SCHEMBL4292128 0.76 CHEK1 (0.67) CHEK1
SCHEMBL4300340 0.76 CHEK1 (0.69) CHEK1

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 1/4885MAP4K1 355/4885ERN1 1611/4885

“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.