SCHEMBL1781476

SCHEMBL1781476

CN1CCN(Cc2cccc(C(=O)Nc3cc(-c4ccnc5[nH]ccc45)cc4[nH]ncc34)n2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.54
PIK3CG P48736 7/20 0.54
PIK3CB P42338 7/20 0.54
PIK3CA P42336 6/20 0.54
PIM1 P11309 5/20 0.54
GSK3B P49841 5/20 0.54
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PRKCI P41743 2/20 0.35
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
IDH1 O75874 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 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
SCHEMBL1779367 0.89 PIK3CD (0.56) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1782334 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
Formic Acid SCHEMBL1780896 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1782113 0.87 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1780856 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1782108 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1782109 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
Formic Acid SCHEMBL1779610 0.86 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1781726 0.86 GSK3B (0.53) PIK3CDPIK3CGPIK3CBPIK3CAPIM1
SCHEMBL1781765 0.85 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US claimed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US 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-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US 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 2938/4885PIK3CG 2718/4885PIK3CB 1706/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CG 9/4885PIK3CB 4/4885

“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.