SCHEMBL4598865

SCHEMBL4598865

C[C@@H](Nc1c(Nc2ccc3[nH]cnc3c2)c(=O)c1=O)c1cccc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.62
AURKB Q96GD4 4/20 0.43
PDGFRA P16234 3/20 0.43
CSNK1G1 Q9HCP0 3/20 0.43
ROCK1 Q13464 2/20 0.43
MAPK1 P28482 2/20 0.43
DCLK1 O15075 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
PRKX P51817 1/20 0.43
NEK4 P51957 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43

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
SCHEMBL4596962 0.89 MAPKAPK2 (0.61) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4598811 0.89 MAPKAPK2 (0.61) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4598170 0.86 MAPKAPK2 (0.58) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4908999 0.86 MAPKAPK2 (0.58) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL14066742 0.85 MAPKAPK2 (0.53) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4598220 0.82 MAPKAPK2 (0.41) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4598110 0.80 MAPKAPK2 (0.49) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4599129 0.76 MAPKAPK2 (0.45) MAPKAPK2AURKBPDGFRACSNK1G1ROCK1
SCHEMBL4597016 0.75 MAPKAPK2 (0.47) MAPKAPK2ROCK1ROCK2GSK3AGSK3B
SCHEMBL4906078 0.75 MAPKAPK2 (0.47) MAPKAPK2ROCK1ROCK2GSK3AGSK3B

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 3 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

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 346/4885AURKB 67/4885PDGFRA 3086/4885

“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.