SCHEMBL4138044

SCHEMBL4138044

c1ccc(COc2cc(N3CCOCC3)nc(-c3cccc4[nH]ncc34)n2)nc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.73
PDE10A Q9Y233 2/20 0.55
PIK3CG P48736 2/20 0.54
PIK3CD O00329 1/20 0.54
ATR Q13535 1/20 0.53
PIK3CB P42338 2/20 0.48
FFAR1 O14842 1/20 0.48

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
SCHEMBL3553118 0.87 PIK3CA (0.59) PIK3CAPDE10APIK3CGPIK3CDATR
SCHEMBL1312319 0.84 PIK3CA (0.72) PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13800991 0.82 PIK3CA (0.74) PIK3CAPIK3CGPIK3CDATRPIK3CB
SCHEMBL1857585 0.77 PIK3CA (0.70) PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL4134049 0.77 PIK3CA (0.69) PIK3CAPDE10APIK3CGPIK3CDPIK3CB
SCHEMBL1310956 0.77 PIK3CA (0.68) PIK3CAPIK3CGPIK3CD
SCHEMBL3552584 0.76 PIK3CA (0.74) PIK3CAPDE10APIK3CGATRPIK3CB
SCHEMBL3550609 0.75 PIK3CA (0.55) PIK3CAPDE10APIK3CGPIK3CBFFAR1
SCHEMBL1309278 0.74 PIK3CA (0.77) PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL18193255 0.74 PIK3CA (0.76) PIK3CAPIK3CGPIK3CDPIK3CB

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 137/4885PDE10A 3517/4885PIK3CG 618/4885

“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.