SCHEMBL1782640

SCHEMBL1782640

CS(=O)(=O)N1CCN(Cc2cccc(C(=O)Nc3cc(-c4cnc5[nH]ncc5c4)cc4[nH]ncc34)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.46
PIK3CD O00329 11/20 0.46
PIK3CG P48736 8/20 0.46
PIK3CB P42338 6/20 0.46
PIM1 P11309 5/20 0.46
GSK3B P49841 5/20 0.46
TNIK Q9UKE5 2/20 0.39
PIK3R1 P27986 4/20 0.39
KCNH2 Q12809 1/20 0.38
NAMPT P43490 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
MTOR P42345 1/20 0.38
MAP3K11 Q16584 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 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
SCHEMBL1781083 0.88 PIK3CD (0.48) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1781032 0.87 PIK3CD (0.47) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1781030 0.87 PIK3CD (0.47) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1779532 0.87 PIK3CD (0.47) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
Formic Acid SCHEMBL1778882 0.85 PIK3CD (0.46) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1780856 0.85 PIK3CD (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1780999 0.84 PIK3CD (0.46) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1771412 0.83 PIK3CD (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1780481 0.83 PIK3CD (0.43) PIK3CAPIK3CDPIK3CGPIK3CBPIM1
SCHEMBL1771818 0.82 PIK3CD (0.52) PIK3CAPIK3CDPIK3CGPIK3CBPIM1

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 8 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

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 PIK3CA 2691/4885PIK3CD 2938/4885PIK3CG 2718/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CG 9/4885

“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.