SCHEMBL4055115

SCHEMBL4055115

COc1cc(-c2ccc3nc(C)c(-c4ccc(S(=O)(=O)N(C)C)cc4)n3n2)ccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 3/20 0.41
CFTR P13569 1/20 0.40
FYN P06241 2/20 0.39
SMPD3 Q9NY59 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ATM Q13315 2/20 0.38
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
GRK5 P34947 1/20 0.37
DAPK1 P53355 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL4062451 0.98 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4061709 0.92 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4054702 0.91 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4413911 0.90 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4061123 0.89 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4058377 0.84 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3512827 0.83 CFTR (0.43) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL4055409 0.83 PIK3CA (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4063804 0.82 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGFYN
SCHEMBL3513424 0.81 PIK3CA (0.70) PIK3CDPIK3CAPIK3CBPIK3CGCFTR

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 6 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
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP 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 8/4885PIK3CA 2/4885PIK3CB 3/4885

“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.