SCHEMBL6793709

SCHEMBL6793709

CCOC(=O)c1[nH]nc2c1CCc1c-2ccc(OCOCCOC)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
MAPK10 P53779 1/20 0.45
RIPK1 Q13546 1/20 0.45
DUSP3 P51452 1/20 0.39
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALPL P05186 1/20 0.36
CLK1 P49759 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL6788535 0.89 MEN1 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6791720 0.88 CCNA2 (0.42) AURKAMAPTMEN1KMT2ANPC1
SCHEMBL6790470 0.81 MEN1 (0.54) AURKAMAPK10RIPK1DUSP3MAPT
SCHEMBL6791800 0.79 AURKA (0.54) AURKAMAPK10RIPK1DUSP3MAPT
SCHEMBL6794689 0.71 AURKA (0.54) AURKAMAPK10RIPK1DUSP3MAPT
SCHEMBL6793307 0.70 KMT2A (0.48) AURKAMAPK10RIPK1DUSP3MAPT
SCHEMBL6792508 0.69 MEN1 (0.70) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6793346 0.69 MEN1 (0.73) AURKAMAPK10RIPK1MAPTMEN1
SCHEMBL6791576 0.69 KDM4E (0.37) KDM4EALDH1A1HPGDRARGF2
SCHEMBL6793267 0.69 MEN1 (0.57) AURKAMAPTMEN1KMT2ANPC1

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.