SCHEMBL10327652

SCHEMBL10327652

Nc1ncc(-c2cc(Nc3cccc4c(C(F)(F)F)cccc34)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.62
PIK3CG P48736 2/20 0.55
PIK3CD O00329 2/20 0.54
PIK3CB P42338 2/20 0.54
MTOR P42345 2/20 0.54
PI4KB Q9UBF8 1/20 0.54
MAP3K12 Q12852 1/20 0.51
PIK3R1 P27986 7/20 0.49
AKT1 P31749 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
SCHEMBL10328281 0.91 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL12091891 0.90 PIK3CA (0.58) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327713 0.84 PIK3CA (0.64) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327656 0.84 PIK3CA (0.64) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL13134507 0.83 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327729 0.82 PIK3CA (0.70) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327646 0.82 PIK3CA (0.65) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL14468924 0.82 CLK2 (0.51) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327648 0.81 PIK3CA (0.55) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327653 0.80 PIK3CA (0.59) PIK3CAPIK3CGPIK3CDPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CG 22/4885PIK3CD 16/4885

“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.