SCHEMBL458945

SCHEMBL458945

Cc1nc(C(=O)Nc2cc(-c3c[nH]c4ncccc34)cc3[nH]ncc23)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.59
PIK3CG P48736 5/20 0.59
PIK3CB P42338 5/20 0.59
PIK3CA P42336 4/20 0.59
PIM1 P11309 7/20 0.54
GSK3B P49841 7/20 0.54
DYRK1A Q13627 7/20 0.44
CDC7 O00311 7/20 0.44
CLK4 Q9HAZ1 6/20 0.44
DYRK1B Q9Y463 5/20 0.44
CDK8 P49336 4/20 0.44
STK17A Q9UEE5 4/20 0.44
MAP4K4 O95819 3/20 0.44
MELK Q14680 3/20 0.44
MAPK14 Q16539 1/20 0.44
ROCK2 O75116 6/20 0.44
PRKACA P17612 5/20 0.44
CDK2 P24941 4/20 0.44
HIPK2 Q9H2X6 4/20 0.44
CLK2 P49760 3/20 0.44

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
SCHEMBL2214333 0.88 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL459229 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL457562 0.87 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1771414 0.84 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1772461 0.84 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2214766 0.83 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1433058 0.82 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL2214455 0.82 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL459145 0.82 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1960498 0.82 PIK3CD (0.72) PIK3CDPIK3CGPIK3CBPIK3CAPIM1

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 17 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
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
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
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 2938/4885PIK3CG 2718/4885PIK3CB 1706/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CG 9/4885PIK3CB 4/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CG 15/4885PIK3CB 13/4885

“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.