SCHEMBL4134049

SCHEMBL4134049

Oc1cccc(-c2nc(OCc3ccccn3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.69
PIK3CG P48736 9/20 0.69
PIK3CB P42338 7/20 0.69
PDE10A Q9Y233 2/20 0.61
PIK3CD O00329 3/20 0.60
MTOR P42345 2/20 0.52
FFAR1 O14842 1/20 0.51

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
SCHEMBL4134574 0.83 PIK3CA (0.63) PIK3CAPIK3CGPIK3CBPDE10AMTOR
SCHEMBL1309874 0.83 PIK3CA (0.71) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3552584 0.83 PIK3CA (0.74) PIK3CAPIK3CGPIK3CBPDE10AMTOR
SCHEMBL4133831 0.82 PIK3CA (0.72) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL13800978 0.81 PIK3CA (0.71) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4138270 0.80 ALDH1A1 (0.69) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3550609 0.80 PIK3CA (0.55) PIK3CAPIK3CGPIK3CBPDE10AFFAR1
SCHEMBL4133828 0.78 PIK3CA (0.68) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL3553118 0.78 PIK3CA (0.59) PIK3CAPIK3CGPIK3CBPDE10APIK3CD
SCHEMBL4138044 0.77 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBPDE10APIK3CD

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 7 patents. 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 claimed
EP-1945627-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2008-07-23 EP claimed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO claimed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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-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.