SCHEMBL20985494

SCHEMBL20985494

Cn1ncc2ccc(-c3cc(Nc4ccc5c(c4)nnn5C)nc(N4CCOCC4)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.48
▸ PIK3CG P48736 3/20 0.47
▸ PIK3CD O00329 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47

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
SCHEMBL20985557 0.93 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17677913 0.90 PIK3CA (0.55) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17673745 0.89 PIK3CA (0.53) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL20985505 0.88 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17678190 0.87 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17674186 0.86 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17673842 0.86 LMNA (0.59) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL20985491 0.85 PIK3CA (0.47) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17673553 0.85 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL17677899 0.85 PIK3CA (0.52) PIK3CAPIK3CGPIK3CDPIK3CBMTOR

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 PIK3CA 2468/4885PIK3CG 3267/4885PIK3CD 3238/4885

“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.

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