SCHEMBL20534210

SCHEMBL20534210

CC(=O)N1CCN(c2cc(NCc3cccc(S(C)(=O)=O)c3)n3nc(C)c(-c4ccc5nonc5c4)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 13/20 0.54
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL20533747 0.87 PI4KB (0.63) PI4KBHPGDALDH1A1HSD17B10GAA
SCHEMBL20533693 0.86 PI4KB (0.52) PI4KBHPGDALDH1A1NPSR1CYP2C9
SCHEMBL20533751 0.85 PI4KB (0.54) PI4KBHPGDALDH1A1NPSR1CYP2C9
SCHEMBL20533769 0.85 PI4KB (0.54) PI4KBHPGDALDH1A1NPSR1CYP2C9
SCHEMBL20533756 0.85 PI4KB (0.54) PI4KBHPGDALDH1A1NPSR1CYP2C9
SCHEMBL20533595 0.85 PI4KB (0.61) PI4KBHPGDALDH1A1GAASMN1; SMN2
SCHEMBL20533551 0.84 PI4KB (0.52) PI4KBHPGDALDH1A1NPSR1HSD17B10
SCHEMBL20533903 0.84 PI4KB (0.52) PI4KBGFERJAK2JAK3PTK2
SCHEMBL20533753 0.84 PI4KB (0.51) PI4KBHPGDALDH1A1NPSR1CYP2C9
SCHEMBL20534205 0.83 PI4KB (0.60) PI4KBHPGDALDH1A1GAASMN1; SMN2

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 PI4KB 3/4885HPGD 3977/4885ALDH1A1 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.