SCHEMBL3801244

SCHEMBL3801244

C[C@@H]1CN(Cc2cnc(-c3cc(-c4c[nH]c5ccccc45)cc4[nH]ncc34)o2)C[C@H](C)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.58
PIK3CA P42336 3/20 0.58
PIK3CB P42338 3/20 0.58
PIK3CG P48736 3/20 0.58
PIK3R2 O00459 1/20 0.57
METAP2 P50579 1/20 0.35
TDO2 P48775 6/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PTGER2 P43116 1/20 0.34
PIM1 P11309 1/20 0.33
GSK3B P49841 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL3801250 1.00 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16927091 0.89 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470235 0.89 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL23140773 0.88 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL19221910 0.79 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL715583 0.76 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16938681 0.75 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470241 0.74 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13075389 0.74 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL461806 0.74 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580797-B2 Compounds Glaxo Smith Kline Intellectual Property Development Limited (GB) 2013-11-12 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 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 (1 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-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 PIK3CD 73/4885PIK3CA 70/4885PIK3CB 51/4885

“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.