SCHEMBL4053671

SCHEMBL4053671

CCS(=O)(=O)c1ccc(-c2c(C)nc3ccc(-c4ccc(OC)c(OC)c4)nn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

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
BRD4 O60885 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FYN P06241 10/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ATR Q13535 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
SMPD3 Q9NY59 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4060797 0.93 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4060996 0.91 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4062691 0.90 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4056586 0.89 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL3515594 0.89 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4055900 0.88 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4410125 0.88 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4062905 0.88 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4060794 0.88 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL3513819 0.87 PIK3CA (0.44) 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 11 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
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-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP 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
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.