SCHEMBL4056586

SCHEMBL4056586

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.57
PIK3CD O00329 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
BRD4 O60885 1/20 0.53
FYN P06241 11/20 0.49
PTGS2 P35354 1/20 0.46
ATR Q13535 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMPD3 Q9NY59 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
SCHEMBL4052345 0.92 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4055900 0.90 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4058369 0.90 PIK3CD (0.54) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4057904 0.90 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4053671 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4060794 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054844 0.89 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054314 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4063804 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL3514618 0.88 PIK3CA (0.49) 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 8 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
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 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.