SCHEMBL4925151

SCHEMBL4925151

COc1cccc([C@@H](C)Nc2c(Nc3ccc(O)c(-n4cccn4)c3)c(=O)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.51
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK1 Q13464 2/20 0.41
AURKB Q96GD4 2/20 0.41
DCLK1 O15075 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PLK1 P53350 1/20 0.41
CSNK1G2 P78368 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
BRSK1 Q8TDC3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 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
SCHEMBL4914806 0.81 MAPKAPK2 (0.55) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4915911 0.81 MAPKAPK2 (0.55) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4916307 0.80 MAPKAPK2 (0.54) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4911181 0.78 MAPKAPK2 (0.52) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4598955 0.78 MAPKAPK2 (0.61) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4916606 0.78 MAPKAPK2 (0.61) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4543440 0.76 MAPKAPK2 (0.72) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4915360 0.76 MAPKAPK2 (0.50) MAPKAPK2MEN1POLBKMT2A
SCHEMBL4919825 0.74 MAPKAPK2 (0.54) MAPKAPK2MEN1POLBKMT2AROCK1
SCHEMBL4927504 0.72 GSK3B (0.43) MAPKAPK2MEN1KMT2AROCK1AURKB

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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors MERCK PATENT GMBH (DE) 2008-12-18 US claimed

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-20080312244-A1 Squaric Acid Derivatives as Protein Kinase Inhibitors CHEK1, CHEK2, SIK1 MAPKAPK2 377/4885MEN1 3067/4885POLB 1327/4885

“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.