SCHEMBL4291213

SCHEMBL4291213

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CNCCO)cc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.59
NR4A2 P43354 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4297135 0.92 CHEK1 (0.56) CHEK1NR4A2ROCK2
SCHEMBL4297838 0.90 CHEK1 (0.56) CHEK1NR4A2ROCK2
SCHEMBL4296990 0.88 CHEK1 (0.65) CHEK1NR4A2
SCHEMBL4300984 0.85 CHEK1 (0.64) CHEK1NR4A2
SCHEMBL4291211 0.85 CHEK1 (0.59) CHEK1CD274
SCHEMBL4295703 0.83 CHEK1 (0.71) CHEK1NR4A2
SCHEMBL4300340 0.82 CHEK1 (0.69) CHEK1NR4A2
SCHEMBL4294122 0.82 CHEK1 (0.53) CHEK1NR4A2ROCK2PDCD1CD274
SCHEMBL4294720 0.81 CHEK1 (0.62) CHEK1NR4A2
SCHEMBL4297134 0.81 CHEK1 (0.57) CHEK1SMN1; SMN2

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 1/4885NR4A2 2243/4885SMN1; SMN2 3570/4885

“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.