Sugi Predict

Sugi Predict / Compounds / SCHEMBL2210199

SCHEMBL2210199

SCHEMBL2210199

C[C@@H]1CN(Cc2nc(C(=O)Nc3cc(-c4cnc5c(cnn5S(=O)(=O)c5ccccc5)c4)cc4c3cnn4S(=O)(=O)c3ccccc3)cs2)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3R1 P27986 4/20 0.33
▸ GAK O14976 1/20 0.32
▸ HTT P42858 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2215940 0.89 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL2216932 0.86 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL1118925 0.83 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL1118889 0.80 THRB (0.36) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL1118697 0.78 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1120003 0.78 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL1771925 0.77 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13577976 0.77 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL1779663 0.77 RORC (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1772516 0.76 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 — — US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 — — US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 — — US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 — — EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3CA 1/4885PIK3CB 6/4885

“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.