SCHEMBL457168

SCHEMBL457168

Cc1nc(C(=O)Nc2cc(-c3cnc4[nH]ncc4c3)cc3[nH]ncc23)c(C)o1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.45
PIK3CG P48736 8/20 0.44
PIM1 P11309 6/20 0.44
GSK3B P49841 6/20 0.44
PIK3CA P42336 8/20 0.44
PIK3CB P42338 7/20 0.44
PIK3C3 Q8NEB9 3/20 0.40
SSTR2 P30874 1/20 0.37
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
PIK3R1 P27986 1/20 0.35
MTOR P42345 1/20 0.35
ATR Q13535 1/20 0.35
POLQ O75417 1/20 0.34

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
SCHEMBL470147 0.84 PIK3C3 (0.37) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL458973 0.79 PIK3CD (0.44) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL459341 0.78 PIK3CD (0.56) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL2214454 0.78 PIK3CD (0.65) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL457146 0.77 PIK3CD (0.50) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL458944 0.76 PIK3CD (0.49) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL2215715 0.70 PIK3CD (0.42) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL470340 0.70 PIK3CD (0.41) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL1780999 0.69 PIK3CD (0.46) PIK3CDPIK3CGPIM1GSK3BPIK3CA
SCHEMBL1781083 0.69 PIK3CD (0.48) PIK3CDPIK3CGPIM1GSK3BPIK3CA

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 2938/4885PIK3CG 2718/4885PIM1 1258/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CG 9/4885PIM1 100/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CG 15/4885PIM1 81/4885

“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.