SCHEMBL799080

SCHEMBL799080

CC(C)NC(=O)c1ccccc1NC(=O)Nc1cn2nc(-c3cccc(S(C)(=O)=O)c3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CG P48736 1/20 0.46
RIPK1 Q13546 17/20 0.42
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 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
SCHEMBL799139 0.87 RIPK1 (0.48) PIK3CDPIK3CGRIPK1KDM4EHTT
SCHEMBL798697 0.82 PIK3CD (0.43) PIK3CDPIK3CGRIPK1KCNH2
SCHEMBL12664300 0.82 PIK3CD (0.55) PIK3CDPIK3CGRIPK1KCNH2
SCHEMBL171590 0.81 RIPK1 (0.48) PIK3CDPIK3CGRIPK1
SCHEMBL799302 0.81 RIPK1 (0.49) RIPK1
SCHEMBL3713219 0.80 PIK3CG (0.66) PIK3CDPIK3CGRIPK1KCNH2
SCHEMBL3716963 0.77 PIK3CD (0.56) PIK3CDPIK3CGRIPK1KCNH2
SCHEMBL12664434 0.77 RIPK1 (0.51) PIK3CGRIPK1
SCHEMBL13188135 0.77 PIK3CD (0.53) PIK3CDPIK3CGRIPK1KCNH2
SCHEMBL12664377 0.75 PIK3CG (0.52) PIK3CDPIK3CGRIPK1HTT

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 PIK3CD 10/4885PIK3CG 16/4885RIPK1 1673/4885

“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.