SCHEMBL3763780

SCHEMBL3763780

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(C(N)=O)c3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PIK3CA P42336 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 5/20 0.38
BRD4 O60885 1/20 0.38
ATR Q13535 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMO O15229 1/20 0.36
HSP90AA1 P07900 1/20 0.36
BUB1 O43683 1/20 0.36
PIK3R2 O00459 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
PRF1 P14222 1/20 0.34
SCN9A Q15858 1/20 0.34
MTOR P42345 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
SCHEMBL3760897 0.93 STK4 (0.43) STK4STK3LRRK2PIK3CAPIK3CD
SCHEMBL3760529 0.91 PRKDC (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3754752 0.91 PRKDC (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3755814 0.90 NPC1 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3762573 0.90 HPGD (0.46) PIK3CAPIK3CDPIK3CBPIK3CGHSD17B10
SCHEMBL3765101 0.89 PIK3CA (0.38) STK4STK3LRRK2PIK3CAPIK3CD
SCHEMBL3757673 0.89 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3760325 0.88 PRKDC (0.49) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3765560 0.87 BUB1 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL3759832 0.87 PRKDC (0.39) LRRK2PIK3CAPIK3CDPIK3CBPIK3CG

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 STK4 50/4885STK3 73/4885LRRK2 368/4885

“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.