SCHEMBL462217

SCHEMBL462217

Cc1nc(C(=O)Nc2cc([Sn](C)(C)C)cc3c2cnn3S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
TLR7 Q9NYK1 3/20 0.39
HIF1A Q16665 1/20 0.37
GRM4 Q14833 3/20 0.35
GRM7 Q14831 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK10 P53779 1/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
BACE1 P56817 1/20 0.33
RORC P51449 1/20 0.33
HTR6 P50406 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL1432115 0.82 HTR6 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGGRM4
SCHEMBL2214904 0.81 EGFR (0.34) GRM4GSK3BDYRK1AHTR6HPGD
SCHEMBL456826 0.79 ALDH1A1 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1431436 0.78 TSHR (0.48) KDM4EOPRM1RORCHTR6LMNA
SCHEMBL1957346 0.78 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2216043 0.77 HTR6 (0.36) OPRM1RORCHTR6LMNASMN1; SMN2
SCHEMBL458467 0.71 HTR6 (0.43) HTR6LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1118783 0.71 GRM4 (0.35) GRM4OPRM1RORCALDH1A1
SCHEMBL2216932 0.71 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGRORC
SCHEMBL2056477 0.70 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG

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 18 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
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP 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-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-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 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
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US 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-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES 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 (5 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3CA 1/4885PIK3CB 6/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CA 2691/4885PIK3CB 1706/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CA 1/4885PIK3CB 4/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CA 12/4885PIK3CB 13/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CD 111/4885PIK3CA 64/4885PIK3CB 90/4885

“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.