SCHEMBL22225700

SCHEMBL22225700

Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.76
▸ PIK3CA P42336 2/20 0.76
▸ PIK3CB P42338 2/20 0.76
▸ PIK3CG P48736 2/20 0.76
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 11/20 0.49
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ HTT P42858 2/20 0.49
▸ NOD2 Q9HC29 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48

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 0.91 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL22225682 0.87 PIK3CG (0.69) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL1792641 0.86 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL22225681 0.86 PIK3CG (0.67) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL22225708 0.85 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL22225672 0.85 PIK3CG (0.66) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL22225686 0.85 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL14053013 0.85 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL20644802 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1790968 0.81 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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-20200223839-A1 FLUORO-CONTAINING COMPOUNDS, USE AND PREPARATION THEREOF JIANGSU YINGKEBEITA YIYAOKEJI CO LTD (CN) 2020-07-16 — — US disclosed
CN-110958877-A Fluorine-containing compound, use thereof and method for producing same 江苏英科贝塔医药科技有限公司 2020-04-03 — — CN 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 PIK3CD 1799/4885PIK3CA 729/4885PIK3CB 2056/4885

“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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