SCHEMBL4055809

SCHEMBL4055809

COc1ccc(-c2ccc3nc(C)c(-c4ccc(I)cc4)n3n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.61
PIK3CD O00329 1/20 0.61
PIK3CB P42338 1/20 0.61
PIK3CG P48736 1/20 0.61
BRD4 O60885 1/20 0.57
FYN P06241 10/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMPD3 Q9NY59 2/20 0.46
ATR Q13535 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL13595838 0.91 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4053277 0.88 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054305 0.88 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4065815 0.86 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4065810 0.85 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054536 0.85 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054058 0.85 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL532033 0.85 BRD4 (0.62) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4054806 0.85 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4056586 0.84 PIK3CA (0.57) 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.