SCHEMBL5568962

SCHEMBL5568962

CC(C)(C)OC(=O)N1CCC(COc2ccc3ncnc(Cl)c3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.49
▸ PIK3CA P42336 3/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ CHEK2 O96017 2/20 0.48
▸ GPR119 Q8TDV5 6/20 0.47
▸ SLC2A1 P11166 1/20 0.45
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL3132645 0.84 EPHA2 (0.55) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5564929 0.82 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL31071572 0.81 GPR119 (0.53) CHEK2GPR119
SCHEMBL30127280 0.81 PDE4B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGIRAK4
SCHEMBL17179600 0.79 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL664787 0.79 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31071546 0.79 STS (0.53) CHEK2GPR119SLC2A1ALOX5APFEN1
SCHEMBL7524902 0.79 GPR119 (0.56) CHEK2GPR119SLC2A1ALOX5APFEN1
SCHEMBL7526229 0.78 GPR119 (0.51) PIK3CDPIK3CACHEK2GPR119SLC2A1
SCHEMBL2287878 0.78 GPR119 (0.50) CHEK2GPR119SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 — — US 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK PIK3CD 294/4885PIK3CA 284/4885PIK3CB 309/4885

“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.

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