SCHEMBL3513658

SCHEMBL3513658

COc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.68
PIK3CD O00329 4/20 0.68
PIK3CB P42338 3/20 0.68
PIK3CG P48736 3/20 0.68
SMPD3 Q9NY59 4/20 0.46
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
NEK2 P51955 2/20 0.40
CFTR P13569 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL3513251 0.85 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513578 0.83 SMPD3 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGSMPD3
SCHEMBL3513764 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514275 0.81 SMPD3 (0.49) PIK3CAPIK3CDPIK3CBPIK3CGSMPD3
SCHEMBL3512900 0.80 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGSMPD3
SCHEMBL3513424 0.80 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGSMPD3
SCHEMBL532711 0.80 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPDE4B
SCHEMBL532710 0.80 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPDE4B
SCHEMBL12988800 0.79 PIK3CA (0.85) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3517108 0.79 PIK3CD (0.85) PIK3CAPIK3CDPIK3CBPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB PIK3CA 2/4885PIK3CD 4/4885PIK3CB 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.