SCHEMBL6795084

SCHEMBL6795084

CC(C)(C)OC(=O)N1CCCn2nc3c(c2C1=O)CCc1cnccc1-3

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.35
BUB1 O43683 1/20 0.35
NAMPT P43490 5/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
UCHL1 P09936 2/20 0.32
BRD4 O60885 1/20 0.32
CYP11B2 P19099 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
SCHEMBL6794985 0.80 SIGMAR1 (0.32) BUB1
SCHEMBL6793213 0.78 SIGMAR1 (0.35) CYP11B2
SCHEMBL6798659 0.76 SIGMAR1 (0.36) BUB1
SCHEMBL4260846 0.73 SIGMAR1 (0.36)
Hydrochloric Acid SCHEMBL4263968 0.72 PDPK1 (0.33) NAMPTCYP11B2
SCHEMBL29814515 0.71 PIK3CA (0.42) GPR119BUB1NAMPT
SCHEMBL6794720 0.71 BRAF (0.34)
SCHEMBL6794726 0.71 BRAF (0.34)
SCHEMBL460089 0.70 CDC7 (0.39)
Hydrochloric Acid SCHEMBL6798947 0.69 GRIN2B (0.34) NAMPT

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 claimed

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 GPR119 1076/4885BUB1 283/4885NAMPT 658/4885

“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.