SCHEMBL2669561

SCHEMBL2669561

COc1cncc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CG P48736 3/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ABL2 P42684 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35

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
SCHEMBL2661829 0.98 PIK3CA (0.39) PIK3CAPIK3CDPIK3CGBACE1BACE2
SCHEMBL4923077 0.85 GABRG2 (0.40) PIK3CAABL1EGFRSRCABL2
SCHEMBL2669425 0.84 PIK3CA (0.38) PIK3CANPY1RNPY5RGABRG2GABRB3
SCHEMBL2661035 0.84 BACE1 (0.40) BACE1BACE2CYP11B1CYP11B2GRM5
SCHEMBL2658184 0.84 PDE4A (0.37) PIK3CABACE1ABL1EGFRSRC
SCHEMBL2669415 0.83 GABRG2 (0.43) NPY1RNPY5RGRM5POLBGABRG2
SCHEMBL2669535 0.83 PIK3CA (0.46) PIK3CA
SCHEMBL2669562 0.83 GABRG2 (0.51) NPY1RNPY5RGRM5POLBGABRG2
SCHEMBL4921314 0.82 GABRG2 (0.41) PIK3CANPY1RNPY5RGRM5POLB
SCHEMBL2669396 0.82 PARP1 (0.35) PIK3CGGRM5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF PIK3CA 3396/4885PIK3CD 3863/4885PIK3CG 3774/4885

“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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