SCHEMBL6791688

SCHEMBL6791688

CC(C)(C)OC(=O)NCCCn1nc2c(c1C(=O)O)CCc1[nH]nc(SCc3ccccc3)c1-2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
IDO1 P14902 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
DRD2 P14416 5/20 0.37
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6793625 0.92 IDO1 (0.39) NPSR1IDO1SIGMAR1DRD2MAPT
SCHEMBL6795334 0.76 CCNA2 (0.40) SIGMAR1DRD2GAAMEN1KMT2A
SCHEMBL6787051 0.73 DRD2 (0.42) IDO1SIGMAR1DRD2
SCHEMBL6794639 0.72 HCAR2 (0.42) SIGMAR1DRD2
SCHEMBL5228886 0.71 CCNA2 (0.38) NPSR1SIGMAR1DRD2MAPT
SCHEMBL6799794 0.71 DRD2 (0.40) SIGMAR1DRD2
SCHEMBL6787671 0.69 CCNA2 (0.45) DRD2
SCHEMBL6793109 0.69 STK17B (0.38) SIGMAR1DRD2
SCHEMBL31357648 0.68 BCHE (0.46) SIGMAR1DRD2GAAMEN1KMT2A
SCHEMBL6792702 0.68 DRD2 (0.42) DRD2

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 NPSR1 2809/4885IDO1 2548/4885SIGMAR1 4084/4885

“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.