SCHEMBL2056478

SCHEMBL2056478

C[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4cnc(I)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)n2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.51
PIK3CG P48736 13/20 0.51
PIK3CA P42336 12/20 0.51
PIK3CB P42338 11/20 0.51
PIK3R2 O00459 1/20 0.51
PIM1 P11309 5/20 0.42
GSK3B P49841 5/20 0.42
PIK3R1 P27986 4/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
CLK2 P49760 1/20 0.35
LRRK2 Q5S007 1/20 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
SCHEMBL1771692 0.93 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1772865 0.91 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1780999 0.88 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL1771818 0.82 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1771412 0.81 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL2056476 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIM1
SCHEMBL1772169 0.81 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL458971 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL13570073 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL4395028 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2

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-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 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-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CD 111/4885PIK3CG 181/4885PIK3CA 64/4885

“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.