SCHEMBL3765895

SCHEMBL3765895

CN1CCN(CC#Cc2c(N3CCOCC3)sc3c2CC(C)(C)CC3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
BACE1 P56817 1/20 0.31
PDE4B Q07343 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 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
SCHEMBL16161700 0.84 DRD3 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3759607 0.82 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3760548 0.81 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3754941 0.81 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3766071 0.80 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3765068 0.78 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3754920 0.78 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4002488 0.78 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3766366 0.78 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3760249 0.78 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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 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.