SCHEMBL458541

SCHEMBL458541

COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(C)c3c2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.42
PIK3CA P42336 7/20 0.42
PIK3CB P42338 6/20 0.42
PIK3CG P48736 6/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3R1 P27986 4/20 0.35
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KDM1A O60341 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CLK2 P49760 1/20 0.30
RAB9A P51151 1/20 0.30
GAK O14976 2/20 0.30
KIT P10721 1/20 0.30

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
SCHEMBL470115 0.89 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470202 0.86 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16667284 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL457141 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL462637 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16683568 0.84 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL459637 0.81 PIK3CA (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470430 0.79 PIK3CG (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL16667551 0.79 PIK3CG (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL713914 0.75 PIK3CG (0.41) 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 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
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2406255-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-01-18 EP 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 2938/4885PIK3CA 2691/4885PIK3CB 1706/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 PIK3CD 11/4885PIK3CA 6/4885PIK3CB 14/4885

“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.