SCHEMBL4055409

SCHEMBL4055409

COc1cc(-c2ccc3nc(C)c(-c4ccc(S(=O)(=O)N(C)C)cc4)n3n2)ccc1OCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
MET P08581 1/20 0.43
BRD4 O60885 1/20 0.41
FYN P06241 9/20 0.40
ATR Q13535 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HTT P42858 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
SCHEMBL4058377 0.96 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMET
SCHEMBL4057904 0.90 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4063804 0.90 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMET
SCHEMBL4060996 0.90 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054844 0.86 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4062691 0.85 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4062451 0.84 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMET
SCHEMBL4055115 0.83 PIK3CD (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMET
SCHEMBL4062905 0.82 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4381808 0.81 PIK3CD (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4

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
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.