SCHEMBL4381808

SCHEMBL4381808

COc1ccc(-c2ccc3nc(C)c(-c4cccc(S(=O)(=O)N(C)C)c4)n3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
BRD4 O60885 1/20 0.47
FYN P06241 11/20 0.46
KDM4E B2RXH2 2/20 0.44
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
HASPIN Q8TF76 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
SCHEMBL4063804 0.90 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4058369 0.89 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL13595838 0.84 PIK3CA (0.67) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4055409 0.81 PIK3CA (0.50) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4056586 0.81 PIK3CA (0.57) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4058377 0.81 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4060836 0.81 FYN (0.60) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL4055900 0.80 PIK3CA (0.59) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4062905 0.80 PIK3CA (0.52) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4060794 0.79 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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 6 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-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
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

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 PIK3CD 8/4885PIK3CA 2/4885PIK3CB 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.