SCHEMBL10187671

SCHEMBL10187671

c1cc(-c2cc(-c3nnc(CN4[C@H]5CC[C@@H]4CC5)o3)c3cn[nH]c3c2)c2cc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.55
PIK3CB P42338 7/20 0.55
PIK3CG P48736 6/20 0.55
PIK3CA P42336 4/20 0.55
PIM1 P11309 2/20 0.48
GSK3B P49841 2/20 0.48
METTL3 Q86U44 1/20 0.39
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35
ROCK2 O75116 1/20 0.35
ARHGDIA P52565 1/20 0.35
ROCK1 Q13464 1/20 0.35
METAP2 P50579 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BRD4 O60885 1/20 0.34
CHEK1 O14757 1/20 0.34
ATR Q13535 1/20 0.34
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL15052149 1.00 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL717275 1.00 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL716079 0.90 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL715105 0.85 PIK3CG (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL715583 0.84 PIK3CD (0.57) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL715632 0.84 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL715633 0.84 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL457718 0.84 PIK3CD (0.63) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL458073 0.84 PIK3CD (0.54) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL470334 0.84 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CB 1706/4885PIK3CG 2718/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 PIK3CD 11/4885PIK3CB 14/4885PIK3CG 33/4885

“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.