SCHEMBL470157

SCHEMBL470157

O=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.58
PIM1 P11309 5/20 0.58
GSK3B P49841 5/20 0.58
PIK3CG P48736 5/20 0.58
PIK3CB P42338 4/20 0.58
PIK3CA P42336 4/20 0.58
CCNK O75909 1/20 0.50
CDK12 Q9NYV4 1/20 0.50
DYRK1A Q13627 2/20 0.44
CLK1 P49759 1/20 0.44
NUDT1 P36639 1/20 0.43
AURKB Q96GD4 3/20 0.43
AURKA O14965 2/20 0.43
PRKCI P41743 2/20 0.43
TLK2 Q86UE8 1/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40

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
SCHEMBL1431439 0.88 PIK3CD (0.69) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL456830 0.79 PIK3CD (0.51) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL457541 0.79 PIK3CD (0.66) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL13570110 0.79 PIK3CD (0.62) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL459229 0.78 PIK3CD (0.59) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2213951 0.78 PIK3CD (0.54) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL456454 0.77 PIK3CD (0.67) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2212949 0.76 PIK3CD (0.51) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2212561 0.75 PIK3CD (0.76) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL1782113 0.75 PIK3CD (0.55) PIK3CDPIM1GSK3BPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

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 2938/4885PIM1 1258/4885GSK3B 389/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIM1 100/4885GSK3B 35/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIM1 81/4885GSK3B 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.