SCHEMBL457116

SCHEMBL457116

CC(C)c1cccnc1C(=O)Nc1cc(-c2cc(F)cc3[nH]ccc23)cc2[nH]ncc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.56
PIK3CB P42338 7/20 0.56
PIK3CG P48736 7/20 0.56
PIM1 P11309 7/20 0.56
GSK3B P49841 7/20 0.56
PIK3CA P42336 7/20 0.56
METAP2 P50579 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
ABL1 P00519 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL458279 0.89 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL456367 0.81 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1250243 0.79 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL458944 0.79 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL457146 0.78 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1778778 0.78 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL461973 0.78 PIK3CD (0.61) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1251763 0.78 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL457161 0.77 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIM1GSK3B
SCHEMBL1778790 0.76 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIM1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP claimed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO 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-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 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
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 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
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 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 (3 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-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CB 4/4885PIK3CG 9/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CB 13/4885PIK3CG 15/4885

“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.