SCHEMBL459341

SCHEMBL459341

Cc1cccc(C(=O)Nc2cc(-c3cnc4[nH]ncc4c3)cc3[nH]ncc23)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.56
PIK3CG P48736 8/20 0.56
PIK3CA P42336 8/20 0.56
PIK3CB P42338 8/20 0.56
PIM1 P11309 7/20 0.56
GSK3B P49841 7/20 0.56
PIK3C3 Q8NEB9 2/20 0.42
GRM5 P41594 1/20 0.42
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
DHPS P49366 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL1772279 0.84 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL2056476 0.84 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781083 0.80 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1251740 0.80 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1782640 0.80 PIK3CA (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1780999 0.80 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL456678 0.79 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781030 0.79 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781032 0.79 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1779532 0.78 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1

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 16 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-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
US-20120238559-A1 NOVEL COMPOUNDS 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-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 2938/4885PIK3CG 2718/4885PIK3CA 2691/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CG 9/4885PIK3CA 1/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CG 15/4885PIK3CA 12/4885

“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.