SCHEMBL10328216

SCHEMBL10328216

Nc1ncc(-c2nc(N3CCOCC3)ncc2C(=O)N2CCNC(=O)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.49
▸ PIK3R1 P27986 18/20 0.49
▸ PIK3CD O00329 4/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ MTOR P42345 1/20 0.44

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
SCHEMBL10327893 0.85 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10328117 0.83 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10327891 0.81 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10327665 0.79 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10327933 0.75 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL12091894 0.75 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10328115 0.75 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL10327664 0.71 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL13211056 0.71 PTPN11 (0.48) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL13211051 0.71 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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 12 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
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 — — EP 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
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 — — EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — WO 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 1/4885PIK3R1 51/4885PIK3CD 16/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3R1 44/4885PIK3CD 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.

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