SCHEMBL4131802

SCHEMBL4131802

COc1ccccc1Nc1cc(N2CCOCC2)nc(-c2cccc(O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
PIK3CB P42338 4/20 0.56
PIK3CG P48736 4/20 0.56
PIK3CD O00329 3/20 0.53
HTT P42858 1/20 0.48
AKT1 P31749 1/20 0.47
MTOR P42345 3/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 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
SCHEMBL4138047 0.88 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL4141300 0.86 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL4138231 0.85 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDAKT1
SCHEMBL4140294 0.84 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CDMAPT
SCHEMBL4138246 0.83 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL1822162 0.82 PIK3CA (0.73) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL5482823 0.81 MAPT (0.56) HTTMAPTTSHRMAPK1NPSR1
SCHEMBL4138240 0.81 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDHTT
SCHEMBL4133829 0.81 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL4143852 0.80 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGPIK3CDMTOR

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
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
EP-1945627-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2008-07-23 EP disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO 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 137/4885PIK3CB 377/4885PIK3CG 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.