SCHEMBL5880447

SCHEMBL5880447

COc1cc2nc(N3CCc4c(ncnc4N4CCOCC4)C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ACHE P22303 4/20 0.45
▸ APP P05067 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAK O14976 3/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ BACE1 P56817 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39

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
SCHEMBL5880632 0.92 ACHE (0.43) PDE10ASMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL5880524 0.91 ALDH1A1 (0.43) PDE10ASMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL5880586 0.91 ACHE (0.52) PDE10ASMN1; SMN2ACHEKDM1ABACE1
SCHEMBL5880460 0.88 KIT (0.41) SMN1; SMN2ACHEALDH1A1BACE1LMNA
SCHEMBL5880463 0.87 KDM4E (0.42) PDE10ASMN1; SMN2ACHEALDH1A1HPGD
SCHEMBL14463257 0.87 PDE10A (0.42) PDE10ASMN1; SMN2ACHEAPPBCHE
SCHEMBL5880628 0.86 ALDH1A1 (0.48) PDE10ASMN1; SMN2ACHEAPPBCHE
SCHEMBL14463637 0.85 PDE10A (0.41) PDE10ASMN1; SMN2ACHEAPPBCHE
SCHEMBL5880430 0.85 SMN1; SMN2 (0.43) PDE10ASMN1; SMN2ACHEAPPBCHE
SCHEMBL5880587 0.83 TNKS (0.53) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US claimed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 — — EP claimed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 — — EP claimed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 — — WO claimed
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 — — US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 — — US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 — — EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 — — EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 — — 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 (2 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B PDE10A 1330/4885SMN1; SMN2 4038/4885ACHE 1019/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B PDE10A 1003/4885SMN1; SMN2 4052/4885ACHE 825/4885

“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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