SCHEMBL6794686

SCHEMBL6794686

CC(C)(C)OC(=O)NCCn1nc2c(c1C(=O)O)CCC1=C2CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
SIGMAR1 Q99720 2/20 0.34
IDO1 P14902 1/20 0.34
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
NAMPT P43490 1/20 0.33
BCHE P06276 1/20 0.33
METAP2 P50579 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 0.91 ADORA1 (0.35) DRD2SIGMAR1IDO1CKS1BSKP1
SCHEMBL6791964 0.87 KDM4E (0.35) DRD2SIGMAR1CKS1BSKP1SKP2
SCHEMBL6794800 0.78 DRD2 (0.35) DRD2SIGMAR1IDO1CKS1BSKP1
SCHEMBL6794681 0.77 DRD2 (0.38) DRD2SIGMAR1CKS1BSKP1SKP2
SCHEMBL6790820 0.77 CCNA2 (0.36) DRD2SIGMAR1
SCHEMBL6793102 0.76 ALDH1A1 (0.35)
SCHEMBL6792392 0.71 CYP11B1 (0.39) DRD2CKS1BSKP1SKP2NAMPT
SCHEMBL6792969 0.70 ADORA3 (0.35) DRD2IDO1CKS1BSKP1SKP2
SCHEMBL20141718 0.70 CKS1B (0.45) DRD2SIGMAR1IDO1CKS1BSKP1
SCHEMBL6798834 0.69 DRD2 (0.36) DRD2SIGMAR1IDO1CKS1BSKP1

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 DRD2 4396/4885SIGMAR1 4084/4885IDO1 2548/4885

“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.