SCHEMBL4055707

SCHEMBL4055707

COc1ccc(-c2ccc3nc(C)c(-c4ccc(CCCO)cc4)n3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.55
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
FYN P06241 12/20 0.53
BRD4 O60885 1/20 0.50
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATR Q13535 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4065810 0.85 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL13595838 0.84 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4059252 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4064431 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4053277 0.82 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4054305 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4055809 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4056538 0.80 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4065815 0.80 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4055421 0.79 PIK3CD (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
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
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 (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.