SCHEMBL458467

SCHEMBL458467

C[Sn](C)(C)c1cc(N)c2cnn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
KMT2A Q03164 7/20 0.36
MEN1 O00255 4/20 0.36
HTT P42858 2/20 0.36
SLC9A1 P19634 1/20 0.36
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NOD1 Q9Y239 2/20 0.35
NOD2 Q9HC29 1/20 0.35
CXCL8 P10145 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 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
SCHEMBL12450255 0.83 HTR6 (0.45) HTR6KMT2AMEN1HTTSLC9A1
SCHEMBL459216 0.81 MEN1 (0.46) HTR6KMT2AMEN1HTTSLC9A1
SCHEMBL12970761 0.77 HTR6 (0.59) HTR6KMT2AMEN1HTTSLC9A1
SCHEMBL1432113 0.76 HTR6 (0.39) HTR6KMT2AHTTMAPTALDH1A1
SCHEMBL457624 0.76 MAPT (0.39) KMT2AMEN1HTTSLC9A1MAPT
SCHEMBL110249 0.75 HTR6 (0.43) HTR6KMT2AMEN1SLC9A1MAPT
SCHEMBL456826 0.73 ALDH1A1 (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1432115 0.72 HTR6 (0.36) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1431296 0.72 HTR6 (0.39) HTR6KMT2AMEN1HTTSLC9A1
SCHEMBL1252454 0.72 HTR6 (0.40) HTR6KMT2AMEN1HTTSLC9A1

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 27 patents — showing the first 20. 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
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP 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
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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 HTR6 1564/4885KMT2A 2534/4885MEN1 4734/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD HTR6 4428/4885KMT2A 3508/4885MEN1 1232/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 HTR6 3938/4885KMT2A 1786/4885MEN1 1242/4885

“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.