SCHEMBL3516776

SCHEMBL3516776

COc1cc(-c2ccc3nc(C)cn3n2)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CD O00329 2/20 0.45
CFTR P13569 1/20 0.43
ATM Q13315 3/20 0.42
FYN P06241 2/20 0.41
BRD4 O60885 2/20 0.39
ATR Q13535 1/20 0.39
DYRK1A Q13627 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3511931 0.97 ATM (0.43) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL3515009 0.85 CFTR (0.43) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL3512827 0.83 CFTR (0.43) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL4413911 0.81 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL4061123 0.80 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL4062451 0.79 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL4061709 0.78 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL3515595 0.78 BRD4 (0.58) PIK3CAPIK3CGPIK3CDFYNBRD4
SCHEMBL4054702 0.78 PIK3CA (0.44) PIK3CAPIK3CGPIK3CDCFTRATM
SCHEMBL3512128 0.77 DYRK1A (0.51) PIK3CAPIK3CGPIK3CDFYNBRD4

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 3 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
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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 (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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB PIK3CA 2/4885PIK3CG 13/4885PIK3CD 4/4885

“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.