SCHEMBL6793625

SCHEMBL6793625

CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1c(SCc3ccccc3)n[nH]c1CC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SIGMAR1 Q99720 3/20 0.37
DRD2 P14416 4/20 0.35
MAPT P10636 3/20 0.34
ATM Q13315 1/20 0.34
BRD4 O60885 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 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
SCHEMBL6791688 0.92 NPSR1 (0.41) IDO1NPSR1SIGMAR1DRD2MAPT
Hydrochloric Acid SCHEMBL6792133 0.85 ADORA2A (0.36) MAPTKDM4EADORA2A
SCHEMBL5228886 0.80 CCNA2 (0.38) NPSR1SIGMAR1DRD2MAPTBRD4
SCHEMBL6791964 0.74 KDM4E (0.35) NPSR1SIGMAR1DRD2MAPTBRD4
SCHEMBL6788219 0.73 AURKA (0.52) KDM4EMEN1KMT2APOLBADORA2A
SCHEMBL6793980 0.72 LATS1 (0.37) NPSR1DRD2MAPTBRD4KDM4E
SCHEMBL4148130 0.72 CDK2 (0.57)
SCHEMBL6792359 0.72 CCNC (0.35) NPSR1MAPTBRD4KDM4ERECQL
SCHEMBL6791959 0.71 DRD2 (0.37) NPSR1SIGMAR1DRD2MAPTBRD4
Hydrochloric Acid SCHEMBL6793712 0.71 CCNA2 (0.31)

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 IDO1 2548/4885NPSR1 2809/4885SIGMAR1 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.