SCHEMBL4295756

SCHEMBL4295756

O=C(O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CO)cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.51
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 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
SCHEMBL4297118 0.90 ACMSD (0.49) CHEK1IKBKBCHUK
SCHEMBL4289731 0.89 CHEK1 (0.64) CHEK1
SCHEMBL4288965 0.88 CHEK1 (0.50) CHEK1
SCHEMBL4291923 0.88 CHEK1 (0.50) CHEK1
SCHEMBL4296990 0.86 CHEK1 (0.65) CHEK1IKBKBCHUK
SCHEMBL4295657 0.83 CHEK1 (0.52) CHEK1
SCHEMBL5017177 0.82 CHEK1 (0.44) CHEK1
SCHEMBL4294140 0.80 CHEK1 (0.46) CHEK1
SCHEMBL4296270 0.80 ACMSD (0.47) CHEK1
SCHEMBL4297039 0.78 DHODH (0.48) 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 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 1/4885IKBKB 423/4885CHUK 152/4885

“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.