SCHEMBL4906181

SCHEMBL4906181

CCOC(=O)CC(Nc1c(Nc2ccc3[nH]cnc3c2)c(=O)c1=O)c1cccc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.40
CYP2C9 P11712 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKCA P17252 1/20 0.38
MAPK1 P28482 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
AURKB Q96GD4 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CXCR2 P25025 5/20 0.34
ALOX5 P09917 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL4910847 0.92 MAPKAPK2 (0.42) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4908818 0.88 MAPKAPK2 (0.42) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4599129 0.88 MAPKAPK2 (0.45) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL14066741 0.84 HPGD (0.38) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL14066740 0.82 MAPKAPK2 (0.38) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4898077 0.81 MAPKAPK2 (0.37) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4598811 0.81 MAPKAPK2 (0.61) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4596962 0.81 MAPKAPK2 (0.61) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4598398 0.80 CXCR2 (0.41) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1
SCHEMBL4598110 0.80 MAPKAPK2 (0.49) MAPKAPK2CYP2C9PDGFRAPRKCAMAPK1

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-20080234266-A1 Squaric Acid Derivatives II MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 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-20080234266-A1 Squaric Acid Derivatives II CHEK2, CHEK1, SGK3 MAPKAPK2 346/4885CYP2C9 4325/4885PDGFRA 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.