SCHEMBL470194

SCHEMBL470194

Cc1cc2c(-c3cc(N)c4c(F)nn(S(=O)(=O)c5ccccc5)c4c3)ccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
GLA P06280 1/20 0.33
KMT2A Q03164 4/20 0.32
HTR6 P50406 4/20 0.32
MEN1 O00255 3/20 0.32
CCKAR P32238 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SRC P12931 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
BRD4 O60885 1/20 0.31
PTGDR Q13258 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL10280415 0.82 PIK3C3 (0.41) PIK3C3PTGDR2MAPTSMN1; SMN2HTT
SCHEMBL3414679 0.79 PTGDR2 (0.43) PIK3C3PTGDR2MAPTSMN1; SMN2LMNA
SCHEMBL13505139 0.77 PTGDR2 (0.46) PIK3C3PTGDR2MAPTSMN1; SMN2HTT
SCHEMBL12577001 0.76 MAPT (0.41) MAPTSMN1; SMN2HTTLMNAGAA
SCHEMBL457280 0.75 PIK3CD (0.39) MAPTSMN1; SMN2HTTLMNAGAA
SCHEMBL3413045 0.73 PIK3C3 (0.44) PIK3C3PTGDR2HTR6ALDH1A1SRC
SCHEMBL3418350 0.72 IKBKB (0.54) PIK3C3SMN1; SMN2HTTLMNAGAA
SCHEMBL3416118 0.72 CHUK (0.53) PIK3C3PTGDR2MAPTLMNAGAA
SCHEMBL3206774 0.72 PIK3C3 (0.49) PIK3C3PTGDR2GAAKMT2AHTR6
SCHEMBL470196 0.71 NR1H2 (0.40) MAPTSMN1; SMN2HTTLMNAGAA

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 4369/4885PTGDR2 2202/4885MAPT 3121/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3C3 16/4885PTGDR2 2876/4885MAPT 2143/4885

“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.