SCHEMBL6791964

SCHEMBL6791964

CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)C1=C(CC2)NN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 4/20 0.35
BRD4 O60885 6/20 0.34
SIGMAR1 Q99720 1/20 0.34
STING1 Q86WV6 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
CNR2 P34972 1/20 0.33
ADORA1 P30542 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 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
SCHEMBL6798838 0.95 ADORA1 (0.35) KDM4EMAPTNPSR1DRD2BRD4
SCHEMBL6790820 0.87 CCNA2 (0.36) KDM4EMAPTNPSR1DRD2BRD4
SCHEMBL6794686 0.87 DRD2 (0.35) DRD2SIGMAR1CKS1BSKP1SKP2
SCHEMBL6793102 0.85 ALDH1A1 (0.35) KDM4EMAPT
SCHEMBL6798586 0.84 MAPT (0.34) KDM4EMAPT
SCHEMBL6795358 0.83 ADORA3 (0.33) KDM4EMAPTADORA3ADORA2AADORA1
SCHEMBL6793133 0.82 KMT2A (0.40) KDM4EMAPT
SCHEMBL6794842 0.80 OPRD1 (0.35) KDM4EMAPT
SCHEMBL6791959 0.79 DRD2 (0.37) KDM4EMAPTNPSR1DRD2BRD4
SCHEMBL6792969 0.76 ADORA3 (0.35) DRD2BRD4ADORA3ADORA2AADORA1

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 KDM4E 2167/4885MAPT 3143/4885NPSR1 2809/4885

“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.