SCHEMBL4294729

SCHEMBL4294729

CN(C)CCCNC(=O)c1cccc(-c2ccc3c(C(=O)O)cc4cc[nH]c(=O)c4c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.54
METAP2 P50579 1/20 0.50
FYN P06241 1/20 0.49
CHUK O15111 1/20 0.44
INSR P06213 1/20 0.44
MAPK8 P45983 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4B Q07343 1/20 0.41

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
SCHEMBL5015713 0.95 CHEK1 (0.58) CHEK1METAP2FYNMAPK8PDE1A
SCHEMBL4296704 0.91 CHEK1 (0.53) CHEK1METAP2FYNCHUKINSR
SCHEMBL4291909 0.86 CHEK1 (0.56) CHEK1METAP2FYNMAPK8PDE1A
SCHEMBL13662652 0.84 CHEK1 (0.60) CHEK1METAP2FYNCHUKINSR
SCHEMBL4297134 0.81 CHEK1 (0.57) CHEK1FYNKDM4EALDH1A1HPGD
SCHEMBL4288965 0.77 CHEK1 (0.50) CHEK1KDM4E
SCHEMBL5017177 0.76 CHEK1 (0.44) CHEK1PARP1
SCHEMBL5017565 0.76 METAP2 (0.49) METAP2FYNCHUKINSRMAPK8
SCHEMBL4297118 0.75 ACMSD (0.49) CHEK1CHUK
SCHEMBL4294867 0.75 CHEK1 (0.67) CHEK1HPGD

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 1 patent. 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 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 1/4885METAP2 4731/4885FYN 1533/4885

“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.