SCHEMBL10327757

SCHEMBL10327757

Nc1ncc(-c2cc(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)n2)c(C(F)(F)F)n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.70
PIK3CB P42338 8/20 0.62
MTOR P42345 8/20 0.62
PIK3CG P48736 3/20 0.54
PIK3R1 P27986 2/20 0.54
PIK3CD O00329 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
PIK3C2B O00750 1/20 0.54
PIK3C3 Q8NEB9 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
SCHEMBL10328133 0.87 PIK3CA (0.68) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327991 0.86 PIK3CA (0.70) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327708 0.86 PIK3CA (0.74) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327949 0.84 PIK3CA (0.70) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327995 0.84 PIK3CA (0.77) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL12091786 0.83 PIK3CA (0.72) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327603 0.82 PIK3CA (1.00) PIK3CAPIK3CBMTOR
SCHEMBL10327750 0.82 PIK3CA (0.68) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL10327745 0.81 PIK3CA (0.87) PIK3CAPIK3CBMTORPIK3CGPIK3R1
SCHEMBL15334709 0.81 PIK3CA (0.69) PIK3CAPIK3CBMTORPIK3CGPIK3R1

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 9 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
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP 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 1/4885PIK3CB 10/4885MTOR 62/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CB 9/4885MTOR 57/4885

“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.