SCHEMBL1821709

SCHEMBL1821709

CC(C)(C)OC(=O)N1CCC(Oc2nc(Cl)cc(Cl)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.51
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46

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
SCHEMBL1821707 1.00 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17687796 0.83 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17687793 0.83 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23608592 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28850071 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1823872 0.83 PIK3CD (0.42) PIK3CDPIK3CA
SCHEMBL1823877 0.83 PIK3CD (0.42) PIK3CDPIK3CA
SCHEMBL5671217 0.82 PIK3CD (0.48) PIK3CDPIK3CA
SCHEMBL23580127 0.81 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23608593 0.81 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951716-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 EP disclosed
EP-1951716-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals, Inc. (US) 2008-08-06 EP disclosed
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007059299-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 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 (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-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 PIK3CD 53/4885PIK3CA 18/4885PIK3CB 56/4885

“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.