SCHEMBL10327615

SCHEMBL10327615

CN1CCC(Oc2ccc(-c3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.67
MTOR P42345 7/20 0.51
PIK3R1 P27986 6/20 0.51
PIK3CG P48736 2/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CB P42338 2/20 0.47
PI4KB Q9UBF8 1/20 0.47
AKT1 P31749 1/20 0.45
MAP3K12 Q12852 1/20 0.44
TDO2 P48775 1/20 0.43
RICTOR Q6R327 2/20 0.42
RPTOR Q8N122 2/20 0.42
MAPKAP1 Q9BPZ7 2/20 0.42
MLST8 Q9BVC4 2/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41

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
SCHEMBL10327622 0.92 PIK3CA (0.78) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL10328083 0.90 PIK3CA (0.85) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL10328142 0.82 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL10328141 0.82 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10327798 0.81 PIK3CA (0.46) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL10327859 0.81 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL15014968 0.79 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL10327613 0.78 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL14469032 0.78 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10328264 0.77 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 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 (2 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 62/4885PIK3R1 51/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 57/4885PIK3R1 44/4885

“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.