SCHEMBL3765985

SCHEMBL3765985

Cn1cncc1C#Cc1c(N2CCOCC2)sc2c1CC(C)(C)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.44
PIK3CD O00329 7/20 0.44
PIK3CB P42338 6/20 0.44
PIK3CG P48736 6/20 0.44
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
UBE2N P61088 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3762262 0.90 HTT (0.46) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3762562 0.86 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3763708 0.83 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3766781 0.81 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3759310 0.75 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3759390 0.73 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3761681 0.73 PIK3CD (0.54) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3759473 0.71 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3764745 0.71 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CGHTT
SCHEMBL3268335 0.71 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBHTTUBE2N

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.