SCHEMBL3765017

SCHEMBL3765017

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CN5C(=O)CCC5=O)c4)c3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
PRKDC P78527 2/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CD O00329 4/20 0.34
PIK3CB P42338 4/20 0.34
PIK3CG P48736 4/20 0.34
GABRA1 P14867 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA2 P47869 4/20 0.33
MAPKAPK2 P49137 1/20 0.32
NR1I2 O75469 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
PSMB8 P28062 1/20 0.32
BRD4 O60885 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 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
SCHEMBL3760623 0.92 PSMB8 (0.41) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3760242 0.90 PSMB8 (0.38) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3760227 0.89 LRRK2 (0.40) BUB1PRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3759987 0.89 BUB1 (0.36) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3759336 0.89 PSMB8 (0.37) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3766694 0.88 CXCR4 (0.38) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3763765 0.88 AOC3 (0.38) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3764666 0.88 JAK2 (0.38) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3759647 0.88 BUB1 (0.34) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3761960 0.87 BUB1 (0.37) BUB1PIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
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 BUB1 565/4885PRKDC 112/4885PIK3CA 3/4885

“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.