SCHEMBL1820693

SCHEMBL1820693

Oc1cccc(-c2cc(Nc3ncccn3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.75
PIK3CB P42338 7/20 0.69
PIK3CG P48736 6/20 0.69
PIK3CD O00329 2/20 0.66
MTOR P42345 2/20 0.55

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
SCHEMBL2466229 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL1819510 0.87 PIK3CA (0.89) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2467297 0.86 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL1827536 0.86 PIK3CA (0.88) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1826851 0.86 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1821080 0.85 PIK3CA (0.75) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2467294 0.84 PIK3CA (0.78) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1820209 0.84 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL1821931 0.84 PIK3CA (0.77) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1822740 0.83 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP claimed
EP-2316831-B1 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer NOVARTIS AG (CH) 2013-03-06 EP disclosed
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 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-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PIK3CA 8/4885PIK3CB 17/4885PIK3CG 45/4885

“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.