SCHEMBL4599129

SCHEMBL4599129

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.45
CXCR2 P25025 16/20 0.41
QPCT Q16769 2/20 0.41
CXCR1 P25024 5/20 0.41
CYP2C9 P11712 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
MAPK1 P28482 1/20 0.41
ROCK1 Q13464 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
AURKB Q96GD4 1/20 0.41
CSNK1G1 Q9HCP0 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
SCHEMBL4908818 0.89 MAPKAPK2 (0.42) MAPKAPK2CXCR2QPCTCYP2C9PDGFRA
SCHEMBL4906078 0.89 MAPKAPK2 (0.47) MAPKAPK2CXCR2QPCTCXCR1ROCK1
SCHEMBL4597016 0.89 MAPKAPK2 (0.47) MAPKAPK2CXCR2QPCTCXCR1ROCK1
SCHEMBL4910847 0.88 MAPKAPK2 (0.42) MAPKAPK2CXCR2QPCTCXCR1CYP2C9
SCHEMBL4906181 0.88 MAPKAPK2 (0.40) MAPKAPK2CXCR2QPCTCXCR1CYP2C9
SCHEMBL4596962 0.87 MAPKAPK2 (0.61) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4598811 0.87 MAPKAPK2 (0.61) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4598110 0.86 MAPKAPK2 (0.49) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL14066740 0.83 MAPKAPK2 (0.38) MAPKAPK2CXCR2CXCR1CYP2C9PDGFRA
SCHEMBL14066741 0.83 HPGD (0.38) MAPKAPK2CXCR2CYP2C9PDGFRAPRKCA

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 346/4885CXCR2 1478/4885QPCT 901/4885

“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.