SCHEMBL10328181

SCHEMBL10328181

Nc1ccc(-c2cc(NCCc3cccnc3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.71
PIK3CB P42338 3/20 0.71
PIK3CG P48736 3/20 0.71
ACHE P22303 1/20 0.50
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
PIK3R1 P27986 1/20 0.47
MTOR P42345 1/20 0.47
RAD52 P43351 1/20 0.46

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
SCHEMBL13848181 0.91 PIK3CA (0.73) PIK3CAPIK3CBPIK3CGACHEPIK3R1
SCHEMBL10327850 0.91 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGACHEPIK3R1
SCHEMBL10328285 0.90 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGACHEHRH1
SCHEMBL10328119 0.85 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGACHEPIK3R1
SCHEMBL10327635 0.84 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGACHEHRH1
SCHEMBL10328184 0.83 PTGDR (0.64) PIK3CAPIK3CBPIK3CGHRH1HRH4
SCHEMBL1309586 0.83 PIK3CA (0.59) PIK3CAPIK3CBPIK3CGACHEPIK3R1
SCHEMBL1822752 0.83 PIK3CA (1.00) PIK3CAPIK3CBPIK3CG
SCHEMBL10328190 0.82 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGACHEHRH1
SCHEMBL10328175 0.82 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3R1MTOR

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 1/4885PIK3CB 10/4885PIK3CG 22/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3CB 9/4885PIK3CG 20/4885

“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.