SCHEMBL6908820

SCHEMBL6908820

O=C1CCCc2c1cnn2COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.50
CSNK2A1 P68400 3/20 0.44
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
BRD4 O60885 1/20 0.41
GPR52 Q9Y2T5 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38

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
SCHEMBL6663384 0.82 ELANE (0.55) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL21003834 0.75 PLK1 (0.49) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL9220188 0.74 AADAT (0.47) ELANECSNK2A1BRD4HTTCSNK2A2
SCHEMBL9142953 0.71 PLK1 (0.62) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL6791285 0.69 CCNA2 (0.44) PLK1NPC1RAB9AHTTLMNA
SCHEMBL6837137 0.69 NPBWR1 (0.51) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL2512530 0.69 CA1 (0.67) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL9149384 0.69 PLK1 (0.63) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL3531363 0.69 PLK1 (0.58) ELANECSNK2A1PLK1PLK3CA1
SCHEMBL17895891 0.68 PLK1 (0.57) ELANECSNK2A1PLK1PLK3CA1

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ELANE 3712/4885CSNK2A1 97/4885PLK1 101/4885

“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.