SCHEMBL6793307

SCHEMBL6793307

CCOC(=O)c1[nH]nc2c1CCc1cc(OC)c(Br)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
AURKA O14965 1/20 0.48
MAPK10 P53779 1/20 0.48
RIPK1 Q13546 1/20 0.48
ALPL P05186 1/20 0.48
CLK1 P49759 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL6795341 0.92 KMT2A (0.51) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL6793714 0.89 MEN1 (0.52) KMT2AMEN1KDM4EHSD17B10ALPL
SCHEMBL6793524 0.87 MEN1 (0.47) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL6793346 0.81 MEN1 (0.73) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL30759537 0.80 LMNA (0.42) KMT2ALMNAL3MBTL1ALDH1A1KCNK3
SCHEMBL27122937 0.80 LMNA (0.42) KMT2ALMNAL3MBTL1ALDH1A1KCNK3
SCHEMBL6788929 0.79 MEN1 (0.54) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL6787022 0.79 AURKA (0.54) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL6790482 0.78 MEN1 (0.54) KMT2AMEN1KDM4EHSD17B10AURKA
SCHEMBL30759629 0.77 ALDH1A1 (0.43) KMT2AKDM4ELMNAL3MBTL1ALDH1A1

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 KMT2A 1257/4885MEN1 1382/4885KDM4E 2167/4885

“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.