SCHEMBL799248

SCHEMBL799248

COc1cccc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)cn3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CD O00329 1/20 0.48
RIPK1 Q13546 12/20 0.45
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL171905 0.91 PIK3CA (0.52) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL798697 0.88 PIK3CD (0.43) PIK3CAPIK3CGPIK3CDRIPK1POLB
SCHEMBL798680 0.87 RIPK1 (0.48) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL799139 0.82 RIPK1 (0.48) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL12664390 0.81 MEN1 (0.58) PIK3CAPIK3CGPIK3CDRIPK1MAPT
SCHEMBL12664742 0.81 PIK3CG (0.51) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL12664377 0.80 PIK3CG (0.52) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL12664554 0.79 PIK3CG (0.51) PIK3CAPIK3CGPIK3CDRIPK1MAPT
SCHEMBL12664700 0.79 PIK3CA (0.62) PIK3CAPIK3CGPIK3CDRIPK1
SCHEMBL12664732 0.79 PIK3CG (0.54) PIK3CAPIK3CGPIK3CDRIPK1POLB

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

“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.