SCHEMBL1780481

SCHEMBL1780481

CC(C)N1CCN(Cc2cccc(C(=O)Nc3cc(-c4cnc5[nH]ncc5c4)cc4[nH]ncc34)n2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.43
PIK3CG P48736 7/20 0.43
PIK3CA P42336 7/20 0.43
PIK3CB P42338 7/20 0.43
PIM1 P11309 7/20 0.43
GSK3B P49841 7/20 0.43
TNIK Q9UKE5 3/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
MAP3K11 Q16584 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ROCK2 O75116 1/20 0.33
CCR2 P41597 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL1772169 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771893 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
Formic Acid SCHEMBL1771748 0.87 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1779958 0.86 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1780999 0.86 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781063 0.86 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1779532 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1781083 0.83 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1782640 0.83 PIK3CA (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL17507490 0.83 PIK3CD (0.42) 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 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 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.