SCHEMBL6794800

SCHEMBL6794800

CC(C)(C)OC(=O)NCCn1nc2c(c1C(=O)O)CCc1c-2cnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
METAP2 P50579 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
IDO1 P14902 1/20 0.34
SCN9A Q15858 1/20 0.33
NAMPT P43490 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 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
SCHEMBL6792969 0.91 ADORA3 (0.35) DRD2CKS1BSKP1SKP2CYP11B1
SCHEMBL6792392 0.78 CYP11B1 (0.39) DRD2CKS1BSKP1SKP2METAP2
SCHEMBL6794686 0.78 DRD2 (0.35) DRD2CKS1BSKP1SKP2METAP2
SCHEMBL6792545 0.76 CDK4 (0.36)
SCHEMBL6794542 0.76 CCNA2 (0.40) DRD2SIGMAR1ADORA3ADORA2A
SCHEMBL6794681 0.75 DRD2 (0.38) DRD2CKS1BSKP1SKP2SIGMAR1
SCHEMBL6787603 0.73 SUV39H2 (0.41) DRD2CYP11B1CYP11B2
SCHEMBL6794639 0.72 HCAR2 (0.42) DRD2CYP11B1CYP11B2SIGMAR1
SCHEMBL6789045 0.72 MAPT (0.34)
SCHEMBL6793109 0.72 STK17B (0.38) DRD2CYP11B1CYP11B2SIGMAR1

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 DRD2 4396/4885CKS1B 130/4885SKP1 554/4885

“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.