SCHEMBL457280

SCHEMBL457280

Nc1cc(-c2cccc3[nH]ccc23)cc2c1c(F)nn2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
ATR Q13535 5/20 0.36
ATRIP Q8WXE1 2/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
HTR6 P50406 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ASH1L Q9NR48 1/20 0.35
FTO Q9C0B1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CB P42338 2/20 0.34
CHEK1 O14757 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
SCHEMBL459027 0.81 HTR6 (0.41) PIK3CDATRATRIPPIP4K2APIP4K2B
SCHEMBL470194 0.75 PIK3C3 (0.38) HTR6HTTMAPTSMN1; SMN2LMNA
SCHEMBL12577001 0.73 MAPT (0.41) HTTMAPTSMN1; SMN2LMNAGAA
SCHEMBL455946 0.73 KMT2A (0.47) HTTMAPTSMN1; SMN2LMNAGAA
SCHEMBL463569 0.71 HTR6 (0.39) PIK3CDATRATRIPPIP4K2APIP4K2B
SCHEMBL457624 0.71 MAPT (0.39) HTTMAPTSMN1; SMN2LMNAGAA
SCHEMBL1251611 0.70 PIK3CD (0.47) PIK3CDPIP4K2APIP4K2BPIP4K2CCSNK2B
SCHEMBL1251685 0.69 PIK3CD (0.39) PIK3CDPIP4K2APIP4K2BPIP4K2CHTR6
SCHEMBL470164 0.69 HTR6 (0.37) PIK3CDATRATRIPPIP4K2APIP4K2B
SCHEMBL1431709 0.67 HTR2B (0.37) PIK3CDATRPIP4K2APIP4K2BPIP4K2C

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 15 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
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
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
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 (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 PIK3CD 2938/4885ATR 4839/4885ATRIP 4793/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885ATR 695/4885ATRIP 2170/4885

“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.