SCHEMBL4599142

SCHEMBL4599142

COc1cccc([C@@H](C)Nc2c(Nc3cc(Br)c4nccn4c3)c(=O)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.53
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKB Q96GD4 3/20 0.42
ROCK1 Q13464 2/20 0.42
PDGFRA P16234 2/20 0.42
MAPK1 P28482 2/20 0.42
CSNK1G1 Q9HCP0 2/20 0.42
DCLK1 O15075 1/20 0.42
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
PRKX P51817 1/20 0.42
NEK4 P51957 1/20 0.42
PLK1 P53350 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42

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
SCHEMBL4905183 0.90 MAPKAPK2 (0.54) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4903227 0.78 MAPKAPK2 (0.49) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4543440 0.78 MAPKAPK2 (0.72) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4898207 0.73 MAPKAPK2 (0.49) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4362293 0.72 MAPKAPK2 (0.68) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4919825 0.72 MAPKAPK2 (0.54) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4900179 0.72 MAPKAPK2 (0.55) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4905771 0.72 MAPKAPK2 (0.55) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4925151 0.71 MAPKAPK2 (0.51) MAPKAPK2MEN1POLBKMT2AAURKB
SCHEMBL4908999 0.70 MAPKAPK2 (0.58) MAPKAPK2MEN1POLBKMT2AAURKB

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-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
EP-1910312-A1 QUADRATIC ACID II DERIVATIVES Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007014608-A1 QUADRATIC ACID II DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-08 WO claimed
US-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 MAPKAPK2 346/4885MEN1 2856/4885POLB 1089/4885

“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.