SCHEMBL6792923

SCHEMBL6792923

CCOC(=O)c1[nH]nc2c1CCc1nn(CC(C)C)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
HSD17B10 Q99714 3/20 0.38
CDC25B P30305 2/20 0.38
DUSP3 P51452 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
XPO1 O14980 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
CLK1 P49759 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL6792608 0.85 CCNA2 (0.47) AURKAHSD17B10NPC1RAB9AMEN1
SCHEMBL6801794 0.84 AURKA (0.46) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6792882 0.81 AURKA (0.49) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6791745 0.71 CCNA2 (0.64) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6792462 0.70 AURKA (0.51) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6788929 0.68 MEN1 (0.54) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6794908 0.68 AURKA (0.54) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6791800 0.68 AURKA (0.54) AURKAMAPK10RIPK1HSD17B10CDC25B
SCHEMBL6795341 0.68 KMT2A (0.51) AURKAMAPK10RIPK1HSD17B10NPC1
SCHEMBL6794689 0.68 AURKA (0.54) AURKAMAPK10RIPK1HSD17B10CDC25B

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 2 patents. 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 claimed
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 AURKA 341/4885MAPK10 108/4885RIPK1 549/4885

“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.