SCHEMBL3754356

SCHEMBL3754356

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cc(Br)cc([N+](=O)[O-])c3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
PRKDC P78527 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL16161759 0.98 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3765059 0.82 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3759368 0.78 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3759852 0.78 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3757579 0.76 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3766002 0.76 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3755564 0.76 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3769513 0.76 GABRG2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3756092 0.76 ATR (0.33) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3757704 0.75 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGBRD4

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 5 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
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO 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 PIK3CD 9/4885PIK3CA 3/4885PIK3CB 11/4885

“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.