SCHEMBL3763646

SCHEMBL3763646

CC1(C)CC(=O)c2sc(N3CCOCC3)c(C#Cc3cccnc3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
PIK3CD O00329 5/20 0.41
PIK3CB P42338 5/20 0.41
PIK3CG P48736 5/20 0.41
GRM5 P41594 8/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
BRD4 O60885 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 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
SCHEMBL3759332 0.88 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGGABRA1
SCHEMBL3754871 0.88 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGGRM5
SCHEMBL3759747 0.84 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3758960 0.84 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGGRM5
SCHEMBL3759519 0.83 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGGABRA1
SCHEMBL16161687 0.83 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL3766673 0.83 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGGRM5
SCHEMBL3760022 0.83 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3764957 0.82 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL3765808 0.82 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBPIK3CGBRD4

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 PIK3CA 3/4885PIK3CD 9/4885PIK3CB 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.