SCHEMBL2215066

SCHEMBL2215066

C[C@@H]1CN(Cc2nc(C(=O)Nc3cc(-c4cnc5[nH]ncc5c4)cc4[nH]ncc34)cs2)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.47
PIK3CG P48736 9/20 0.46
PIK3CA P42336 9/20 0.46
PIK3CB P42338 8/20 0.46
PIK3R2 O00459 1/20 0.43
PIM1 P11309 6/20 0.41
GSK3B P49841 6/20 0.41
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
TNIK Q9UKE5 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3R1 P27986 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL13578050 1.00 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
Formic Acid SCHEMBL2215711 0.97 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1773103 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL2213984 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL2215021 0.86 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771530 0.86 PIK3CD (0.69) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1772490 0.85 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1780999 0.85 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1771444 0.84 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL2215715 0.84 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2

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 12 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 claimed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP claimed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 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
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-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 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
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 (2 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 2/4885PIK3CG 15/4885PIK3CA 1/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CG 2718/4885PIK3CA 2691/4885

“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.