SCHEMBL10328191

SCHEMBL10328191

Cc1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.74
MAP3K12 Q12852 1/20 0.74
PIK3R1 P27986 9/20 0.64
PIK3CD O00329 3/20 0.64
PIK3CB P42338 3/20 0.64
MTOR P42345 6/20 0.62
PIK3CG P48736 3/20 0.57
PI4KB Q9UBF8 1/20 0.56
KMT2A Q03164 1/20 0.55
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
JAK3 P52333 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL10327966 0.90 PIK3CA (0.84) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL10327633 0.86 PIK3CA (0.78) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL13016782 0.85 PIK3CA (0.76) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL10327890 0.85 PIK3CA (1.00) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL13848124 0.84 PIK3CA (0.74) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL2811686 0.84 PIK3CA (0.74) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL10328107 0.83 PIK3CA (0.76) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL10328284 0.83 PIK3CA (0.69) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL4125040 0.83 PIK3CA (0.69) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB
SCHEMBL22051074 0.83 MAP3K12 (0.51) PIK3CAMAP3K12PIK3R1PIK3CDPIK3CB

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-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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP 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 1/4885MAP3K12 125/4885PIK3R1 51/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MAP3K12 129/4885PIK3R1 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.