SCHEMBL20533931

SCHEMBL20533931

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
RORB Q92753 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL20533564 0.85 GBA1 (0.36)
SCHEMBL20533887 0.83 PI4KB (0.47) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL20533697 0.83 PI4KB (0.38) RORCKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20533932 0.83 DPP4 (0.36) RORCALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20533930 0.82 SMN1; SMN2 (0.39) JAK2JAK3KDM4EALDH1A1LMNA
SCHEMBL20533924 0.81 PI4KB (0.45) ALDH1A1LMNATSHRSMN1; SMN2HSD17B10
SCHEMBL20533961 0.79 GBA1 (0.37) RAB9A
SCHEMBL20534228 0.79 GBA1 (0.35) KDM4EALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL20533580 0.78 GBA1 (0.34) ALDH1A1TSHRRAB9AHSD17B10
SCHEMBL20533917 0.71 APOBEC3A (0.39) JAK2KDM4EALDH1A1LMNATSHR

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 RORC 741/4885JAK2 416/4885JAK1 79/4885

“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.