SCHEMBL4291909

SCHEMBL4291909

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.56
JAK2 O60674 2/20 0.45
ABL1 P00519 1/20 0.45
FYN P06241 2/20 0.44
PARP1 P09874 2/20 0.44
PRKD1 Q15139 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
METAP2 P50579 1/20 0.41
PDE4B Q07343 1/20 0.41
MAP4K4 O95819 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE1C Q14123 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL4296704 0.95 CHEK1 (0.53) CHEK1JAK2ABL1FYNPARP1
SCHEMBL5015713 0.91 CHEK1 (0.58) CHEK1JAK2ABL1FYNPARP1
SCHEMBL4297134 0.90 CHEK1 (0.57) CHEK1ABL1FYNPRKD1
SCHEMBL13662652 0.87 CHEK1 (0.60) CHEK1JAK2ABL1FYNPARP1
SCHEMBL4294729 0.86 CHEK1 (0.54) CHEK1FYNPARP1METAP2PDE4B
SCHEMBL4294122 0.85 CHEK1 (0.53) CHEK1MAP4K4
SCHEMBL4291211 0.83 CHEK1 (0.59) CHEK1ABL1
SCHEMBL4302677 0.82 CHEK1 (0.54) CHEK1
SCHEMBL4297838 0.82 CHEK1 (0.56) CHEK1
SCHEMBL4302910 0.81 CHEK1 (0.52) 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 1/4885JAK2 1085/4885ABL1 178/4885

“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.