SCHEMBL5880587

SCHEMBL5880587

COc1cc2nc(N3CCc4c(ncnc4N4CCC(c5ccccc5OC)CC4)C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.53
▸ TNKS2 Q9H2K2 2/20 0.53
▸ NTSR1 P30989 9/20 0.51
▸ KIT P10721 2/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ PDE3A Q14432 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
SCHEMBL5880460 0.87 KIT (0.41) TNKSTNKS2KITPARP1THRB
SCHEMBL5880632 0.86 ACHE (0.43) KITPDE10A
SCHEMBL5880586 0.85 ACHE (0.52) KITPDE10A
SCHEMBL5880524 0.85 ALDH1A1 (0.43) KITPDE10A
SCHEMBL5880447 0.83 PDE10A (0.52) PDE10A
SCHEMBL5880463 0.81 KDM4E (0.42) KITPDE10ATHRBPDE3A
SCHEMBL5880491 0.79 KIT (0.39) TNKSTNKS2KITPARP1THRB
SCHEMBL5880492 0.79 KIT (0.39) TNKSTNKS2KITPARP1THRB
SCHEMBL5880461 0.77 EGFR (0.51) KITTHRB
SCHEMBL5880643 0.74 CYP1A1 (0.38) THRB

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-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
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — 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 (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 TNKS 3349/4885TNKS2 3458/4885NTSR1 231/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B TNKS 3584/4885TNKS2 3702/4885NTSR1 220/4885

“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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