SCHEMBL20533930

SCHEMBL20533930

CCOC(=O)N1CCN(c2cc(N(Cc3cccc(S(C)(=O)=O)c3)C(=O)OC(C)(C)C)n3nc(C)c(Br)c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR119 Q8TDV5 7/20 0.37
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 6/20 0.36
DPP4 P27487 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
PTK2 Q05397 2/20 0.34

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
SCHEMBL20533575 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20533695 0.86 PI4KB (0.42) SMN1; SMN2ALDH1A1LMNATSHRHSD17B10
SCHEMBL20533748 0.86 PI4KB (0.44) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20533660 0.85 PI4KB (0.35) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20533905 0.83 PI4KB (0.33) NR1H2NR1H3
SCHEMBL20533914 0.83 PI4KB (0.42) SMN1; SMN2ALDH1A1LMNATSHRHSD17B10
SCHEMBL20533931 0.82 RORC (0.37) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20533951 0.71 HPGD (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL20533887 0.70 PI4KB (0.47) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20533564 0.68 GBA1 (0.36)

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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB SMN1; SMN2 4769/4885KDM4E 1098/4885ALDH1A1 3654/4885

“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.