SCHEMBL6791586

SCHEMBL6791586

CCOC(=O)c1c2c(nn1CCCOC1CCCCO1)C1=C(CC2)NN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 1/20 0.33
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6798586 0.82 MAPT (0.34) MEN1KMT2AALDH1A1
SCHEMBL6793133 0.81 KMT2A (0.40) MEN1KMT2AALDH1A1
SCHEMBL6791584 0.81 MEN1 (0.36) MEN1KMT2AADORA3TGFBR1TGFBR2
SCHEMBL6792068 0.81 MEN1 (0.36) MEN1KMT2AADORA3TGFBR1TGFBR2
SCHEMBL6794842 0.79 OPRD1 (0.35) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL6795358 0.77 ADORA3 (0.33) ADORA3CHRM5CHRM1ALDH1A1
SCHEMBL6792562 0.71 AURKA (0.51) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL6793950 0.70 CCNA2 (0.39) ALDH1A1
SCHEMBL24103840 0.69 KMT2A (0.45) MEN1KMT2AADORA3ALDH1A1
SCHEMBL6798193 0.68 ALDH1A1 (0.41) MEN1KMT2AALDH1A1

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 MEN1 1382/4885KMT2A 1257/4885ADORA3 2377/4885

“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.