SCHEMBL1779532

SCHEMBL1779532

O=C(Nc1cc(-c2cnc3[nH]ncc3c2)cc2[nH]ncc12)c1cccc(CN2CCC(F)(F)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.47
PIK3CG P48736 7/20 0.47
PIK3CA P42336 7/20 0.47
PIK3CB P42338 7/20 0.47
GSK3B P49841 10/20 0.47
PIM1 P11309 7/20 0.47
MAP3K11 Q16584 2/20 0.41
TNIK Q9UKE5 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
NAMPT P43490 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
GSK3A P49840 2/20 0.35

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
SCHEMBL1781083 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1781030 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1781032 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1782640 0.87 PIK3CA (0.46) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
Formic Acid SCHEMBL1778882 0.86 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1780481 0.85 PIK3CD (0.43) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1781726 0.84 GSK3B (0.53) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL1780999 0.83 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL463446 0.79 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B
SCHEMBL459341 0.78 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBGSK3B

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.