SCHEMBL457161

SCHEMBL457161

CC(C)c1cccnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]nc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.49
PIK3CB P42338 4/20 0.49
GSK3B P49841 3/20 0.49
PIM1 P11309 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CG P48736 2/20 0.49
DYRK1A Q13627 4/20 0.39
HPGDS O60760 4/20 0.36
FTO Q9C0B1 1/20 0.34
ABL1 P00519 1/20 0.34
KDR P35968 3/20 0.34
WNT1 P04628 2/20 0.34
PRKCA P17252 1/20 0.34
FLT3 P36888 1/20 0.34
HTR2B P41595 1/20 0.34
PRKCQ Q04759 1/20 0.34
CHEK1 O14757 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
SCHEMBL1779812 0.89 PIK3CD (0.51) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL458279 0.84 PIK3CD (0.70) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL2214053 0.82 PIK3CD (0.46) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL457112 0.80 PIK3CD (0.45) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL470333 0.80 PIK3CD (0.45) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL459157 0.79 PIK3CD (0.53) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL456978 0.78 PIK3C3 (0.39) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL457116 0.77 PIK3CD (0.56) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL2214182 0.77 PIK3CD (0.51) PIK3CDPIK3CBGSK3BPIM1PIK3CA
SCHEMBL1250243 0.74 PIK3CD (0.74) PIK3CDPIK3CBGSK3BPIM1PIK3CA

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 15 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
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 1706/4885GSK3B 389/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CB 4/4885GSK3B 35/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CB 13/4885GSK3B 65/4885

“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.