SCHEMBL4063016

SCHEMBL4063016

COc1ccc(-c2ccc3nc(C)c(-c4ccc(S(=O)(=O)NC5CC5)cc4)n3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 13/20 0.56
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
BRD4 O60885 2/20 0.46
BRD3 Q15059 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4054314 0.88 PIK3CA (0.55) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4410125 0.85 PIK3CA (0.52) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4056586 0.84 PIK3CA (0.57) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4055900 0.83 PIK3CA (0.59) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4055421 0.83 PIK3CD (0.50) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4053671 0.82 PIK3CA (0.55) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4060794 0.82 PIK3CA (0.55) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4063804 0.82 PIK3CA (0.55) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4053382 0.81 ALDH1A1 (0.53) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4055698 0.81 PIK3CA (0.50) SMPD3PIK3CDPIK3CAPIK3CBPIK3CG

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 SMPD3 387/4885PIK3CD 8/4885PIK3CA 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.