SCHEMBL6799241

SCHEMBL6799241

COC(=O)C1C2=C(NN1CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1CS2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
DRD2 P14416 6/20 0.40
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
BRD4 O60885 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6799237 0.71 DYRK1A (0.42) DYRK1ADRD2CA12CA1CA2
SCHEMBL6786895 0.65 DYRK1A (0.43) DYRK1ADRD2CA12CA1CA2
SCHEMBL6790815 0.64 DYRK1A (0.46) DYRK1ADRD2CA12CA1CA2
SCHEMBL6792567 0.64 DYRK1A (0.46) DYRK1ADRD2CA12CA1CA2
SCHEMBL6787565 0.64 DYRK1A (0.46) DYRK1ADRD2BRD4KDM4ENPC1
SCHEMBL6236662 0.64 MAPKAPK2 (0.58) DRD2MAPTABCG2
SCHEMBL17997425 0.64 MTNR1A (0.60) DYRK1ABRD4KDM4ENPC1RAB9A
SCHEMBL22280882 0.63 CA12 (0.49) DRD2CA12CA1CA2CA9
SCHEMBL22280842 0.63 CA12 (0.50) DYRK1ACA12CA1CA2CA9
SCHEMBL22280542 0.63 CA12 (0.52) DYRK1ACA12CA1CA2CA9

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 DYRK1A 754/4885DRD2 4396/4885CA12 4244/4885

“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.