SCHEMBL799211

SCHEMBL799211

CC(=O)c1cccc(-c2ccc3nc(N)sc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.64
PIK3CD O00329 14/20 0.64
PIK3CG P48736 12/20 0.64
PIK3CB P42338 11/20 0.64
PI4KA P42356 15/20 0.62
PI4KB Q9UBF8 15/20 0.62
PIP5K1C O60331 6/20 0.56
DHFR P00374 1/20 0.54
ALKBH5 Q6P6C2 1/20 0.50
FTO Q9C0B1 1/20 0.50

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
SCHEMBL1177897 0.86 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA
SCHEMBL1638828 0.84 RAB9A (0.59)
SCHEMBL798579 0.81 PIK3CG (0.77) PIK3CAPIK3CG
SCHEMBL172060 0.80 DHFR (0.47) DHFR
SCHEMBL4655242 0.79 RAB9A (0.55)
SCHEMBL29646253 0.79 PIK3CA (0.82) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA
SCHEMBL5532470 0.79 PIK3CA (0.82) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA
SCHEMBL8773471 0.78 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA
SCHEMBL31324976 0.77 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA
SCHEMBL31324975 0.77 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPI4KA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PIK3CA 15/4885PIK3CD 10/4885PIK3CG 16/4885

“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.