SCHEMBL6792969

SCHEMBL6792969

CCOC(=O)c1c2c(nn1CCNC(=O)OC(C)(C)C)-c1cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1CC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
ADORA1 P30542 2/20 0.33
DRD2 P14416 1/20 0.33
IDO1 P14902 1/20 0.33
BRD4 O60885 2/20 0.33
GABRA5 P31644 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32

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
SCHEMBL6794800 0.91 DRD2 (0.35) ADORA3ADORA2ADRD2IDO1CYP11B1
SCHEMBL6792545 0.86 CDK4 (0.36) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6791026 0.83 SMN1; SMN2 (0.42) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6789045 0.82 MAPT (0.34) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6794542 0.82 CCNA2 (0.40) ADORA3ADORA2ACDK4CCNA2CDK2
SCHEMBL6794919 0.81 OPRD1 (0.35) CDK4CCNA2CDK2CCND3CCNA1
SCHEMBL6798838 0.80 ADORA1 (0.35) ADORA3ADORA2AADORA1DRD2IDO1
SCHEMBL6794857 0.80 CYP11B1 (0.38) ADORA3ADORA2ACDK4CCNA2CDK2
SCHEMBL6794135 0.79 CDK4 (0.38) ADORA3ADORA2ACDK4CCNA2CDK2
SCHEMBL6792068 0.79 MEN1 (0.36) ADORA3CDK4CCNA2CDK2CCND3

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 ADORA3 2377/4885ADORA2A 1092/4885CDK4 154/4885

“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.