SCHEMBL6792555

SCHEMBL6792555

CCOC(=O)c1[nH]nc2c1CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
HPGDS O60760 1/20 0.36
CDC25B P30305 2/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PLAT P00750 1/20 0.33
XPO1 O14980 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
SCHEMBL6793099 0.80 LMNA (0.36) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6793129 0.80 MEN1 (0.39) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6794835 0.79 OPRD1 (0.35) ALDH1A1HSD17B10HPGDGAAKDM4E
SCHEMBL6798581 0.77 OPRM1 (0.33) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6798186 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6793946 0.76 CCNA2 (0.37) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6800269 0.76 ALDH1A1 (0.38) AURKAALDH1A1HSD17B10HPGDMEN1
SCHEMBL6798834 0.75 DRD2 (0.36) NPSR1KDM4EMAPT
SCHEMBL6788857 0.74 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6792173 0.72 AURKA (0.52) AURKAMAPK10RIPK1ALDH1A1HSD17B10

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 1 patent. 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 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.