SCHEMBL4290123

SCHEMBL4290123

CN(C)CCCNC(=O)c1ccc(-c2ccc3c(CN4CCOCC4)cc4cc[nH]c(=O)c4c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.55
CD274 Q9NZQ7 9/20 0.47
HPGD P15428 1/20 0.42
MTOR P42345 1/20 0.41
FLT3 P36888 1/20 0.40
HPGDS O60760 1/20 0.40
PARP1 P09874 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
SCHEMBL4294867 0.80 CHEK1 (0.67) CHEK1HPGD
SCHEMBL13659635 0.79 CHEK1 (0.84) CHEK1PARP1
SCHEMBL4292384 0.78 CHEK1 (0.82) CHEK1PARP1
SCHEMBL5024319 0.78 CD274 (0.42) CD274HPGDMTORHPGDS
SCHEMBL4292106 0.76 CHEK1 (0.79) CHEK1
SCHEMBL4287654 0.76 CHEK1 (0.79) CHEK1PARP1
SCHEMBL4287256 0.76 CHEK1 (0.78) CHEK1PARP1
SCHEMBL5017722 0.75 CHEK1 (0.80) CHEK1
SCHEMBL5017145 0.75 CHEK1 (0.83) CHEK1
SCHEMBL4292566 0.75 CHEK1 (0.71) 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 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 1/4885CD274 64/4885HPGD 3708/4885

“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.