SCHEMBL6787955

SCHEMBL6787955

CCOC(=O)c1[nH]nc2c1CCc1[nH]nc(S(C)(=O)=O)c1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
MAPK10 P53779 1/20 0.48
RIPK1 Q13546 1/20 0.48
HSD17B10 Q99714 3/20 0.42
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
CDC25B P30305 2/20 0.36
HPGD P15428 2/20 0.36
DUSP3 P51452 1/20 0.36
PDE4D Q08499 1/20 0.36
XPO1 O14980 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLP1R P43220 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL6792602 0.83 KMT2A (0.43) HSD17B10ALDH1A1KDM4ECCNA2CDK2
SCHEMBL6788067 0.80 AURKA (0.49) AURKAMAPK10RIPK1HSD17B10BRD4
SCHEMBL6791180 0.78 AURKA (0.47) AURKAMAPK10RIPK1HSD17B10BRD4
SCHEMBL6786795 0.77 AURKA (0.47) AURKAMAPK10RIPK1HSD17B10BRD4
SCHEMBL6788219 0.73 AURKA (0.52) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6791745 0.72 CCNA2 (0.64) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6791800 0.67 AURKA (0.54) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6792462 0.67 AURKA (0.51) AURKAMAPK10RIPK1HSD17B10BRD4
SCHEMBL6793346 0.66 MEN1 (0.73) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL428433 0.66 AURKA (0.52) AURKAMAPK10RIPK1HSD17B10ALDH1A1

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.