SCHEMBL3515009

SCHEMBL3515009

COc1cc(-c2ccc3nc(C)c(Br)n3n2)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
FYN P06241 9/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
ATM Q13315 2/20 0.41
ATR Q13535 1/20 0.41
BRD4 O60885 2/20 0.40
SUV39H2 Q9H5I1 2/20 0.39
DAPK1 P53355 1/20 0.38

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
SCHEMBL3512827 0.97 CFTR (0.43) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL3516776 0.85 PIK3CA (0.45) CFTRFYNPIK3CAPIK3CDPIK3CG
SCHEMBL4413911 0.85 PIK3CA (0.45) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL4061123 0.84 PIK3CA (0.45) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL4062451 0.83 PIK3CA (0.43) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL3511931 0.83 ATM (0.43) CFTRFYNPIK3CAPIK3CDPIK3CG
SCHEMBL4061709 0.83 PIK3CA (0.45) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL4054702 0.82 PIK3CA (0.44) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL3512900 0.81 PIK3CA (0.71) CFTRFYNPIK3CAPIK3CDPIK3CB
SCHEMBL4055115 0.81 PIK3CD (0.43) CFTRFYNPIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB CFTR 3900/4885FYN 451/4885PIK3CA 2/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB CFTR 4206/4885FYN 492/4885PIK3CA 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.