SCHEMBL4064079

SCHEMBL4064079

COc1ccc(-c2ccc3nc(C)c(-c4ccc(-c5ccc(C#N)nc5)cc4)n3n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.60
PIK3CD O00329 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
FYN P06241 14/20 0.50
BRD4 O60885 1/20 0.48
ATR Q13535 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3516848 0.97 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513204 0.94 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514464 0.88 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4054536 0.86 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4053917 0.85 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL4055461 0.83 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3512458 0.83 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514744 0.83 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL13595838 0.83 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3513910 0.83 FYN (0.71) PIK3CAFYNATR

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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
CN-101528748-A Imidazopyridazines as PI3K lipid kinase inhibitors NOVARTIS AG (CH) 2009-09-09 CN 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.