SCHEMBL470203

SCHEMBL470203

CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.67
PIK3CA P42336 7/20 0.67
PIK3CB P42338 4/20 0.67
PIK3CG P48736 4/20 0.67
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
HTR6 P50406 3/20 0.34
ATR Q13535 5/20 0.34
ATRIP Q8WXE1 3/20 0.34
MTOR P42345 2/20 0.34
PRKDC P78527 1/20 0.34
PIK3R1 P27986 1/20 0.33
PARP1 P09874 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
SCHEMBL17255824 0.84 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
SCHEMBL111185 0.84 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGHTR6
Hydrochloric Acid SCHEMBL17255819 0.83 PIK3CD (0.87) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
SCHEMBL15051784 0.83 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
SCHEMBL20212531 0.83 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
Nemiralisib SCHEMBL29356978 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
Nemiralisib SCHEMBL29493085 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
Nemiralisib SCHEMBL109919 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
Nemiralisib SCHEMBL659144 0.80 PIK3CD (0.98) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ
Nemiralisib SCHEMBL111259 0.80 PIK3CD (0.98) PIK3CDPIK3CAPIK3CBPIK3CGPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632921-B1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5-{[4-(1-METHYLETHYL)-1-PIPERAZINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS GLAXO GROUP LTD (GB) 2018-10-17 EP disclosed
EP-2613781-B1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-08-24 EP 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-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-8993576-B2 6-(1H-indol-4-yl)-4-(5-{[4-1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole hemi succinate salt, polymorphs and pharmaceutical compositions thereof GLAXO GROUP LIMITED (GB) 2015-03-31 US disclosed
US-8993576-B2 6-(1H-indol-4-yl)-4-(5-{[4-1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole hemi succinate salt, polymorphs and pharmaceutical compositions thereof GLAXO GROUP LIMITED (GB) 2015-03-31 US disclosed
US-8993576-B2 6-(1H-indol-4-yl)-4-(5-{[4-1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole hemi succinate salt, polymorphs and pharmaceutical compositions thereof GLAXO GROUP LIMITED (GB) 2015-03-31 US disclosed
EP-2632921-A1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5- { [4-(1-METHYLETHYL)-1-PI PERAZINYL]METHYL} -1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS Glaxo Group Limited (GB) 2013-09-04 EP disclosed
CN-103270037-A Polymorphs and salts of 6-1h-indol-4-yl)-4-(5- { [4-(1-methylethyl)- 1-pi perazinyl] methyl} -1,3-oxazol-2-group)-1h-indazole as pi3k inhibitors for use in the treatment of e.g. respiratory disorders GLAXO GROUP LTD 2013-08-28 CN disclosed
US-20130203772-A1 Polymorphs and Salts GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130203772-A1 Polymorphs and Salts GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130203772-A1 Polymorphs and Salts GLAXO GROUP LIMITED (GB) 2013-08-08 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-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
WO-2012055846-A1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5- { [4-(1-METHYLETHYL)-1-PI PERAZINYL] METHYL} -1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS GLAXO GROUP LIMITED (GB) 2012-05-03 WO disclosed
WO-2012055846-A1 POLYMORPHS AND SALTS OF 6-(1H-INDOL-4-YL)-4-(5- { [4-(1-METHYLETHYL)-1-PI PERAZINYL] METHYL} -1,3-OXAZOL-2-YL)-1H-INDAZOLE AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF E.G. RESPIRATORY DISORDERS GLAXO GROUP LIMITED (GB) 2012-05-03 WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 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-20130203772-A1 Polymorphs and Salts PRKDC, PRKACA, MAP3K6 PIK3CD 211/4885PIK3CA 117/4885PIK3CB 279/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CA 2691/4885PIK3CB 1706/4885

“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.