SCHEMBL4133828

SCHEMBL4133828

CN(c1ccccn1)c1cc(N2CCOCC2)nc(-c2cccc(O)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.68
PIK3CG P48736 7/20 0.68
PIK3CB P42338 5/20 0.68
PIK3CD O00329 4/20 0.60
MTOR P42345 4/20 0.52
HTT P42858 1/20 0.49
PIK3R1 P27986 2/20 0.47
PIK3C2A O00443 1/20 0.47
PIK3C2B O00750 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
PIK3C2G O75747 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
CSNK2A2 P19784 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
FLT3 P36888 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL4145728 0.85 PIK3CA (0.69) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4128785 0.82 PIK3CA (0.68) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3554145 0.79 KMT2A (0.44) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4134049 0.78 PIK3CA (0.69) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL14614250 0.77 PIK3CA (0.69) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL5172881 0.76 PIK3CA (1.00) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4139135 0.75 PIK3CA (0.74) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4133831 0.74 PIK3CA (0.72) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL15299524 0.74 PIK3CA (1.00) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4138270 0.74 ALDH1A1 (0.69) PIK3CAPIK3CGPIK3CBPIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 PIK3CA 137/4885PIK3CG 618/4885PIK3CB 377/4885

“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.