SCHEMBL4054702

SCHEMBL4054702

CCS(=O)(=O)c1ccc(-c2c(C)nc3ccc(-c4ccc(OCCCNC(=O)OC(C)(C)C)c(OC)c4)nn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
FYN P06241 4/20 0.40
PI4KB Q9UBF8 2/20 0.40
CFTR P13569 1/20 0.39
SMPD3 Q9NY59 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ATM Q13315 2/20 0.38
AXL P30530 1/20 0.38
BRD4 O60885 2/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL4061123 0.98 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4061709 0.93 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4055115 0.91 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4413911 0.91 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4062451 0.89 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3512827 0.84 CFTR (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4062691 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4060996 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513424 0.82 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4053671 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGFYN

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 PIK3CA 2/4885PIK3CD 8/4885PIK3CB 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.