SCHEMBL1822667

SCHEMBL1822667

FC(F)(F)c1cccc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.75
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 2/20 0.52
PIK3CD O00329 2/20 0.52
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
AR P10275 1/20 0.49
CNR2 P34972 1/20 0.48

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
SCHEMBL2472425 0.87 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL2470802 0.85 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL13201836 0.85 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1822740 0.85 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3451414 0.85 PIK3CA (0.66) PIK3CAUSP2SMN1; SMN2PIK3CBPIK3CG
SCHEMBL13201972 0.83 PIK3CA (0.78) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL1818879 0.83 PIK3CA (0.75) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL12656553 0.83 PIK3CA (0.75) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL12656552 0.82 PIK3CA (0.73) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2467298 0.81 PIK3CA (0.72) PIK3CAPIK3CBPIK3CGPIK3CDMTOR

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 8/4885USP2 2130/4885SMN1; SMN2 2504/4885

“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.