SCHEMBL799204

SCHEMBL799204

COc1cncc(-c2ccc3nc(NC(=O)C(F)(F)F)cn3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.53
PIK3CA P42336 5/20 0.52
RIPK1 Q13546 13/20 0.50
PIK3CD O00329 1/20 0.50
FYN P06241 1/20 0.46

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
SCHEMBL12664447 0.86 PIK3CG (0.55) PIK3CGPIK3CARIPK1PIK3CDFYN
SCHEMBL12664646 0.82 PIK3CA (0.57) PIK3CGPIK3CARIPK1PIK3CDFYN
SCHEMBL12664641 0.81 PIK3CA (0.53) PIK3CGPIK3CARIPK1PIK3CD
SCHEMBL171590 0.76 RIPK1 (0.48) PIK3CGPIK3CARIPK1PIK3CD
SCHEMBL9956856 0.75 PIK3CG (0.50) PIK3CGPIK3CAFYN
SCHEMBL13188740 0.75 PIK3CA (0.51) PIK3CGPIK3CARIPK1PIK3CD
SCHEMBL798566 0.75 PIK3CG (0.50) PIK3CGPIK3CAPIK3CDFYN
SCHEMBL13188135 0.74 PIK3CD (0.53) PIK3CGPIK3CARIPK1PIK3CD
SCHEMBL12664773 0.74 PIK3CG (0.65) PIK3CGPIK3CARIPK1FYN
SCHEMBL13188162 0.74 PIK3CA (0.50) PIK3CGPIK3CARIPK1PIK3CD

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 PIK3CG 16/4885PIK3CA 15/4885RIPK1 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.