SCHEMBL3765027

SCHEMBL3765027

C[N+]1(C)CCC(=O)c2sc(N3CCOCC3)c(C#Cc3ccccc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
GRM5 P41594 9/20 0.35
PIK3CA P42336 5/20 0.35
PIK3R1 P27986 3/20 0.35
PDE2A O00408 1/20 0.35
GRM4 Q14833 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PRKDC P78527 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
SCHEMBL16161774 0.83 GRM5 (0.46) BRD4GRM5PIK3CAPIK3R1PDE2A
SCHEMBL3754871 0.78 PIK3CA (0.43) BRD4GRM5PIK3CAPIK3R1PDE2A
SCHEMBL3766781 0.73 PIK3CD (0.45) BRD4GRM5PIK3CAPIK3R1PDE2A
SCHEMBL16161712 0.71 HTT (0.47) BRD4GRM5PIK3CAPIK3R1PDE2A
SCHEMBL15848941 0.69 PIK3CA (0.38) BRD4GRM5PIK3CAPIK3R1GRM4
SCHEMBL3764957 0.69 PIK3CA (0.42) BRD4PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL3759332 0.69 PIK3CA (0.44) BRD4PIK3CAPIK3CDPIK3CB
SCHEMBL3758960 0.69 PIK3CA (0.40) BRD4GRM5PIK3CAPIK3R1HSD17B10
SCHEMBL3243835 0.68 PTGS2 (0.36) BRD4GRM5PIK3CAPIK3R1GRM4
SCHEMBL3763646 0.68 PIK3CA (0.41) BRD4GRM5PIK3CAPIK3CDPIK3CB

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 BRD4 1041/4885GRM5 2081/4885PIK3CA 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.