SCHEMBL10327792

SCHEMBL10327792

Nc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.67
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
PIK3CG P48736 2/20 0.56
MTOR P42345 2/20 0.55
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
PIK3R1 P27986 1/20 0.54
JAK2 O60674 1/20 0.52
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
MET P08581 1/20 0.51
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL10327786 0.91 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10328100 0.90 PIK3CA (0.66) PIK3CACA12CA1CA2CA9
SCHEMBL10327638 0.89 PIK3CA (0.63) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10328088 0.87 PIK3CA (0.73) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10327915 0.86 PIK3CA (0.71) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL15014941 0.86 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL15014954 0.85 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10328054 0.85 PIK3CA (0.67) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10328232 0.85 PIK3CA (0.67) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL10327602 0.85 PIK3CA (0.67) PIK3CAPIK3CGMTORPIK3CDPIK3CB

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 1/4885CA12 4860/4885CA1 4758/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885CA12 4859/4885CA1 4788/4885

“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.