SCHEMBL4147474

SCHEMBL4147474

N#Cc1ccc(Nc2cc(N3CCOCC3)nc(-c3cccc(O)c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.60
ABCB1 P08183 6/20 0.60
ABCC1 P33527 2/20 0.60
PIK3CA P42336 12/20 0.56
PIK3CB P42338 3/20 0.56
PIK3CG P48736 3/20 0.56
PIK3CD O00329 1/20 0.54

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
SCHEMBL4140239 0.91 PIK3CA (0.55) ABCG2ABCB1ABCC1PIK3CAPIK3CB
SCHEMBL4138246 0.89 PIK3CA (0.67) ABCG2ABCB1ABCC1PIK3CAPIK3CB
SCHEMBL4138240 0.88 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4133829 0.88 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4140294 0.85 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4145858 0.83 PIK3CA (0.55) ABCG2ABCB1ABCC1PIK3CAPIK3CB
SCHEMBL4143852 0.83 PIK3CA (0.57) ABCG2PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4128479 0.83 PIK3CA (0.57) ABCG2ABCC1PIK3CAPIK3CBPIK3CG
SCHEMBL4622260 0.81 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4138231 0.80 PIK3CA (0.58) ABCG2ABCB1ABCC1PIK3CAPIK3CB

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 ABCG2 1903/4885ABCB1 1821/4885ABCC1 1451/4885

“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.