SCHEMBL10328232

SCHEMBL10328232

COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.67
PIK3CG P48736 2/20 0.66
PIK3CD O00329 2/20 0.65
PIK3CB P42338 2/20 0.65
MTOR P42345 2/20 0.65
PI4KB Q9UBF8 1/20 0.65
MAPK1 P28482 1/20 0.63
TAAR1 Q96RJ0 1/20 0.63
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GALR2 O43603 1/20 0.54
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIK3R1 P27986 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL10327715 0.90 PIK3CG (0.80) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL2816557 0.89 PIK3CA (0.83) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327860 0.89 PIK3CG (0.84) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327775 0.89 PIK3CA (0.75) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327900 0.89 PIK3CA (0.75) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10328088 0.87 PIK3CA (0.73) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327597 0.87 PIK3CA (0.60) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327915 0.86 PIK3CA (0.71) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327853 0.86 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL10327786 0.86 PIK3CA (0.66) 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 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 1/4885PIK3CG 22/4885PIK3CD 16/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CG 20/4885PIK3CD 15/4885

“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.