SCHEMBL6793129

SCHEMBL6793129

CCOC(=O)Cn1nc2c(c1C(=O)OCC)CCC1NN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C=C21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
TRPM2 O94759 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAT P00750 1/20 0.33
MAPT P10636 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 0.90 LMNA (0.36) MEN1KMT2AGAATSHRSMN1; SMN2
SCHEMBL6794835 0.88 OPRD1 (0.35) GAASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL6798186 0.85 ALDH1A1 (0.38) MEN1KMT2AGAATSHRTRPM2
SCHEMBL6798581 0.85 OPRM1 (0.33) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL6798834 0.83 DRD2 (0.36) KDM4EMAPT
SCHEMBL6792555 0.80 AURKA (0.47) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL6790712 0.79 P2RY12 (0.34) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6793946 0.77 CCNA2 (0.37) MEN1KMT2ATSHRHTTALDH1A1
SCHEMBL6800269 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6793133 0.76 KMT2A (0.40) MEN1KMT2AGAATSHRTRPM2

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 1257/4885GAA 3667/4885

“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.