SCHEMBL1781083

SCHEMBL1781083

O=C(Nc1cc(-c2cnc3[nH]ncc3c2)cc2[nH]ncc12)c1cccc(CN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.48
PIK3CG P48736 7/20 0.48
PIK3CA P42336 6/20 0.48
PIK3CB P42338 5/20 0.48
PIM1 P11309 5/20 0.48
GSK3B P49841 5/20 0.48
AURKA O14965 3/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
AURKB Q96GD4 2/20 0.42
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
CDK2 P24941 3/20 0.40
FLT3 P36888 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
Formic Acid SCHEMBL1778882 0.97 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781030 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781032 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1779532 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1782640 0.88 PIK3CA (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771818 0.87 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1780999 0.86 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771928 0.85 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL2213984 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1251729 0.84 PIK3CD (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPIM1

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 9 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
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US 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 (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 2718/4885PIK3CA 2691/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CG 9/4885PIK3CA 1/4885

“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.