SCHEMBL6793803

SCHEMBL6793803

CCOC(=O)c1[nH]nc2c1CCc1c-2cnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
MAPK10 P53779 1/20 0.51
RIPK1 Q13546 1/20 0.51
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CDC25B P30305 2/20 0.38
DUSP3 P51452 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALPL P05186 1/20 0.37
CLK1 P49759 1/20 0.37
HPGDS O60760 1/20 0.37
XPO1 O14980 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 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
SCHEMBL6789733 0.83 AURKA (0.53) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6792462 0.80 AURKA (0.51) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6793380 0.79 AURKA (0.48) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6792545 0.78 CDK4 (0.36) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL6791026 0.78 SMN1; SMN2 (0.42) HSD17B10ALDH1A1HPGDKDM4EMEN1
SCHEMBL6792173 0.78 AURKA (0.52) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6791744 0.77 CCNA2 (0.49) AURKAMAPK10RIPK1HSD17B10ALDH1A1
Acetic Acid SCHEMBL6790051 0.77 AURKA (0.45) AURKAMAPK10RIPK1HSD17B10ALDH1A1
SCHEMBL6794919 0.77 OPRD1 (0.35) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL6795506 0.75 AURKA (0.46) 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.