SCHEMBL4598110

SCHEMBL4598110

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 0.49
PDGFRA P16234 3/20 0.42
AURKB Q96GD4 3/20 0.42
CSNK1G1 Q9HCP0 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 1/20 0.42
PRKCA P17252 1/20 0.42
ROCK1 Q13464 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
MAPK14 Q16539 1/20 0.38
FYN P06241 1/20 0.37

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
SCHEMBL4598811 0.91 MAPKAPK2 (0.61) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4596962 0.91 MAPKAPK2 (0.61) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4599129 0.86 MAPKAPK2 (0.45) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4908818 0.82 MAPKAPK2 (0.42) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4910847 0.82 MAPKAPK2 (0.42) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4906181 0.80 MAPKAPK2 (0.40) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4598865 0.80 MAPKAPK2 (0.62) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4598170 0.78 MAPKAPK2 (0.58) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL4908999 0.78 MAPKAPK2 (0.58) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1
SCHEMBL14066742 0.78 MAPKAPK2 (0.53) MAPKAPK2PDGFRAAURKBCSNK1G1MAPK1

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 346/4885PDGFRA 3086/4885AURKB 67/4885

“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.