SCHEMBL4296704

SCHEMBL4296704

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
FYN P06241 3/20 0.49
METAP2 P50579 1/20 0.47
CHUK O15111 1/20 0.43
INSR P06213 1/20 0.43
MAPK8 P45983 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 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
SCHEMBL4291909 0.95 CHEK1 (0.56) CHEK1FYNMETAP2MAPK8PDE1A
SCHEMBL4294729 0.91 CHEK1 (0.54) CHEK1FYNMETAP2CHUKINSR
SCHEMBL4297134 0.90 CHEK1 (0.57) CHEK1FYNKDM4EALDH1A1HPGD
SCHEMBL5015713 0.86 CHEK1 (0.58) CHEK1FYNMETAP2MAPK8PDE1A
SCHEMBL4302910 0.83 CHEK1 (0.52) CHEK1KDM4EHSD17B10
SCHEMBL4291211 0.83 CHEK1 (0.59) CHEK1KDM4EALDH1A1L3MBTL1ABL1
SCHEMBL13662652 0.82 CHEK1 (0.60) CHEK1FYNMETAP2CHUKINSR
SCHEMBL4294122 0.82 CHEK1 (0.53) CHEK1
SCHEMBL4302677 0.81 CHEK1 (0.54) CHEK1
SCHEMBL4302681 0.80 CHEK1 (0.55) 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 1/4885FYN 1533/4885METAP2 4731/4885

“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.