SCHEMBL10327700

SCHEMBL10327700

Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.70
MTOR P42345 9/20 0.70
MAP3K12 Q12852 1/20 0.53
PIK3CB P42338 3/20 0.51
PIK3CG P48736 2/20 0.51
PIK3R5 Q8WYR1 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3C2B O00750 1/20 0.51
PIK3R1 P27986 1/20 0.51
AKR1C3 P42330 1/20 0.51
PRKDC P78527 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10327727 0.82 PIK3CA (1.00) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL28046994 0.76 PIK3CA (0.59) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL10328300 0.76 PIK3CA (0.61) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL16035197 0.74 PIK3CA (0.59) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL24398770 0.74 PIK3CA (0.70) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL28046969 0.74 PIK3CA (0.54) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL16168918 0.73 MTOR (0.71) PIK3CAMTORPIK3CBPIK3CGPIK3R5
SCHEMBL15334730 0.73 PIK3CA (0.58) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL28047097 0.73 PIK3CA (0.71) PIK3CAMTORMAP3K12PIK3CBPIK3CG
SCHEMBL10327997 0.72 PIK3CA (1.00) PIK3CAMTORMAP3K12PIK3CBPIK3CG

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 62/4885MAP3K12 125/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 57/4885MAP3K12 129/4885

“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.