SCHEMBL18874073

SCHEMBL18874073

COc1ncc(-c2nn(C)c3ncnc(N)c23)cc1N=[SH](=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.48
PIK3CA P42336 13/20 0.48
PIK3CB P42338 13/20 0.48
PIK3CG P48736 13/20 0.48
PRKDC P78527 13/20 0.48
ABL1 P00519 10/20 0.48
EGFR P00533 10/20 0.48
HCK P08631 10/20 0.48
SRC P12931 10/20 0.48
MTOR P42345 10/20 0.48
EPHB4 P54760 10/20 0.48
PI4KB Q9UBF8 3/20 0.48
KDR P35968 9/20 0.48
NUDT14 O95848 1/20 0.43
NUDT5 Q9UKK9 1/20 0.43
LCK P06239 1/20 0.39
AURKA O14965 1/20 0.39
IKBKE Q14164 1/20 0.39
AURKB Q96GD4 1/20 0.39
RET P07949 2/20 0.39

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
SCHEMBL18874075 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917223 0.79 PIK3CB (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129581 0.73 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL129505 0.71 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18874072 0.70 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130502 0.70 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130503 0.69 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL128507 0.69 SRC (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130752 0.68 NUDT14 (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21362286 0.68 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 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-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 PIK3CD 5/4885PIK3CA 4/4885PIK3CB 14/4885

“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.