SCHEMBL6793380

SCHEMBL6793380

CCOC(=O)c1[nH]nc2c1CCc1c-2cnn1COCc1ccccc1

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 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGDS O60760 1/20 0.35
CSNK1D P48730 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.34
CDC25B P30305 1/20 0.34
DUSP3 P51452 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL6791285 0.87 CCNA2 (0.44) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6789733 0.81 AURKA (0.53) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6792882 0.81 AURKA (0.49) AURKAMAPK10RIPK1HSD17B10ALDH1A1
Acetic Acid SCHEMBL6790051 0.80 AURKA (0.45) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6795506 0.79 AURKA (0.46) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6793803 0.79 AURKA (0.51) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6790049 0.78 AURKA (0.45) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6792462 0.78 AURKA (0.51) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6793188 0.78 CCNA2 (0.48) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6791744 0.75 CCNA2 (0.49) 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.