SCHEMBL3759850

SCHEMBL3759850

Cn1cnc(CCc2c(N3CCOCC3)sc3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.43
PIK3CD O00329 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PIK3R1 P27986 1/20 0.32

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
SCHEMBL3766043 0.83 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3764700 0.82 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3759706 0.77 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3763669 0.77 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3757536 0.76 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3760335 0.75 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3763752 0.74 KDM1A (0.39) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3762309 0.73 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGALDH1A1SMN1; SMN2
SCHEMBL3764964 0.71 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL3766105 0.71 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1

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 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.