SCHEMBL4055421

SCHEMBL4055421

COc1ccc(-c2ccc3nc(C)c(-c4ccc(S(=O)(=O)NCCO)cc4)n3n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.50
PIK3CG P48736 2/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
FYN P06241 8/20 0.49
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
BRD4 O60885 1/20 0.45
PI4KB Q9UBF8 3/20 0.45
PI4KA P42356 1/20 0.43
SMPD3 Q9NY59 1/20 0.42

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
SCHEMBL4410125 0.90 PIK3CA (0.52) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4054314 0.87 PIK3CA (0.55) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4053671 0.84 PIK3CA (0.55) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4056586 0.83 PIK3CA (0.57) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4060797 0.83 PIK3CA (0.53) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4055900 0.83 PIK3CA (0.59) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4063016 0.83 SMPD3 (0.56) PIK3CDPIK3CGPIK3CAPIK3CBBRD4
SCHEMBL4055698 0.82 PIK3CA (0.50) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4060794 0.82 PIK3CA (0.55) PIK3CDPIK3CGPIK3CAPIK3CBFYN
SCHEMBL4063804 0.81 PIK3CA (0.55) PIK3CDPIK3CGPIK3CAPIK3CBFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB PIK3CD 8/4885PIK3CG 13/4885PIK3CA 2/4885

“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.