SCHEMBL3759236

SCHEMBL3759236

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CN(C(=O)O)C(C)(C)C)c4)c3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.36
BUB1 O43683 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL3759263 0.91 AOC3 (0.42) AOC3BUB1
SCHEMBL3763765 0.88 AOC3 (0.38) AOC3BUB1PIK3CAPIK3CDPIK3CB
SCHEMBL3761960 0.88 BUB1 (0.37) AOC3BUB1NPSR1KDM1AHDAC1
SCHEMBL3760227 0.87 LRRK2 (0.40) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3763544 0.86 AOC3 (0.36) AOC3BUB1PIK3CAPIK3CDPIK3CB
SCHEMBL16161607 0.86 KDM1A (0.40) BUB1KDM1AHDAC1PIK3CAPIK3CD
SCHEMBL3755286 0.86 AOC3 (0.38) AOC3BUB1KDM1AHDAC1PIK3CA
SCHEMBL3759987 0.85 BUB1 (0.36) AOC3BUB1KDM1AHDAC1PIK3CA
SCHEMBL3762759 0.85 PRKDC (0.40) BUB1KDM1AHDAC1PIK3CAPIK3CD
SCHEMBL14080349 0.85 BUB1 (0.31) AOC3BUB1NPSR1PIK3CAPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA AOC3 4160/4885BUB1 565/4885NPSR1 4529/4885

“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.