SCHEMBL4291902

SCHEMBL4291902

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3cncc4ccccc34)ccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.59
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CDK1 P06493 1/20 0.44
KDR P35968 1/20 0.44
CYP11B1 P15538 11/20 0.43
CYP11B2 P19099 11/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ERN1 O75460 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL4300340 0.82 CHEK1 (0.69) CHEK1
SCHEMBL4289781 0.81 CHEK1 (0.62) CHEK1DYRK1APRMT5WDR77CYP11B1
SCHEMBL13659540 0.81 CHEK1 (0.73) CHEK1
SCHEMBL4292128 0.81 CHEK1 (0.67) CHEK1
SCHEMBL4295703 0.79 CHEK1 (0.71) CHEK1
SCHEMBL4296700 0.79 CHEK1 (0.64) CHEK1
SCHEMBL13662696 0.79 ERN1 (0.47) CHEK1WNT1DYRK1APRMT5WDR77
SCHEMBL4296775 0.79 CHEK1 (0.67) CHEK1
SCHEMBL4300292 0.79 CHEK1 (0.70) CHEK1CYP1A2
SCHEMBL4297274 0.77 CHEK1 (0.61) CHEK1WNT1DYRK1APRMT5WDR77

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 1/4885WNT1 2119/4885DYRK1A 762/4885

“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.