SCHEMBL4060836

SCHEMBL4060836

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.60
PIK3CA P42336 2/20 0.58
ATR Q13535 1/20 0.58
PIK3CD O00329 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
BRD4 O60885 1/20 0.50
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
SMPD3 Q9NY59 1/20 0.46

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
SCHEMBL4056538 0.91 PIK3CA (0.67) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL4061772 0.90 FYN (0.71) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL13595838 0.87 PIK3CA (0.67) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL4058369 0.83 PIK3CD (0.54) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4053277 0.82 PIK3CA (0.67) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL4065810 0.81 PIK3CA (0.61) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL4054806 0.81 PIK3CA (0.63) FYNPIK3CAATRPIK3CDPIK3CB
SCHEMBL4381808 0.81 PIK3CD (0.51) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514614 0.80 FYN (0.64) FYNPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4054305 0.79 PIK3CA (0.61) FYNPIK3CAATRPIK3CDPIK3CB

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 FYN 492/4885PIK3CA 2/4885ATR 1178/4885

“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.