SCHEMBL22225672

SCHEMBL22225672

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2nsnc2c1)c1ccc(CO)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 6/20 0.66
▸ PIK3CD O00329 2/20 0.66
▸ PIK3CA P42336 2/20 0.66
▸ PIK3CB P42338 2/20 0.66
▸ MAPT P10636 8/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ HTT P42858 2/20 0.49
▸ NOD2 Q9HC29 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ CDC25A P30304 1/20 0.44

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
SCHEMBL22225674 0.88 PIK3CD (0.74) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL22225700 0.85 PIK3CD (0.76) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL22225708 0.85 PIK3CD (0.66) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL22225681 0.83 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL22225682 0.83 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL22225686 0.82 PIK3CD (0.70) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL1792641 0.80 PIK3CD (1.00) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL1790968 0.79 PIK3CD (0.77) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL14053013 0.78 PIK3CD (0.80) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL1791900 0.77 MEN1 (0.72) PIK3CGPIK3CDPIK3CAPIK3CBMAPT

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-20200223839-A1 FLUORO-CONTAINING COMPOUNDS, USE AND PREPARATION THEREOF JIANGSU YINGKEBEITA YIYAOKEJI CO LTD (CN) 2020-07-16 — — 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-20200223839-A1 FLUORO-CONTAINING COMPOUNDS, USE AND PREPARATION THEREOF AFF1, AFF4, CYP2F1 PIK3CG 1499/4885PIK3CD 1799/4885PIK3CA 729/4885

“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.

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