SCHEMBL10280415

SCHEMBL10280415

Cc1cc2c(-c3cc(N)c4cnn(S(=O)(=O)c5ccccc5)c4c3)ccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.41
HTR6 P50406 6/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.37
CYP17A1 P05093 3/20 0.34
SRC P12931 1/20 0.33
BRD4 O60885 1/20 0.33
CXCL8 P10145 1/20 0.32
NOD1 Q9Y239 1/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1431047 0.83 HTR6 (0.42) PIK3C3HTR6CYP17A1
SCHEMBL470194 0.82 PIK3C3 (0.38) PIK3C3HTR6PTGDR2SRCBRD4
SCHEMBL1251639 0.80 IKBKB (0.51) PIK3C3HTR6
SCHEMBL3414679 0.79 PTGDR2 (0.43) PIK3C3HTR6PTGDR2SRCBRD4
SCHEMBL13505139 0.77 PTGDR2 (0.46) PIK3C3HTR6PTGDR2SRCNOD1
SCHEMBL12450255 0.75 HTR6 (0.45) HTR6CXCL8NOD1KMT2AMAPT
SCHEMBL1252454 0.74 HTR6 (0.40) HTR6BRD4CXCL8NOD1KMT2A
SCHEMBL459027 0.73 HTR6 (0.41) HTR6
SCHEMBL30134962 0.73 PTGDR2 (0.42) PIK3C3HTR6PTGDR2CYP17A1SRC
SCHEMBL3413045 0.73 PIK3C3 (0.44) PIK3C3HTR6PTGDR2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 PIK3C3 4369/4885HTR6 1564/4885PTGDR2 2202/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3C3 16/4885HTR6 4401/4885PTGDR2 2876/4885

“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.