SCHEMBL459104

SCHEMBL459104

Cc1nc(C(=O)Nc2cc(-c3ccnc4[nH]ccc34)cc3c2cnn3C)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
PIK3CD O00329 3/20 0.40
PRKCI P41743 3/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
GSK3B P49841 2/20 0.39
PIM1 P11309 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
NUDT1 P36639 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
CIT O14578 4/20 0.38
DYRK1A Q13627 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
RHEB Q15382 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL1779880 0.85 PIK3CD (0.43) AURKAAURKBINCENPTPX2PIK3CD
SCHEMBL459229 0.83 PIK3CD (0.59) AURKAAURKBPIK3CDPRKCIPIK3CA
SCHEMBL459444 0.78 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1252933 0.76 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1771747 0.73 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL2056081 0.73 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1779380 0.73 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL458945 0.71 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL2214455 0.71 PIK3CD (0.58) AURKBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2214792 0.70 PIM1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP claimed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO claimed
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 (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 AURKA 3432/4885AURKB 2291/4885INCENP 3117/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B AURKA 170/4885AURKB 117/4885INCENP 2825/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB AURKA 111/4885AURKB 131/4885INCENP 1645/4885

“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.