SCHEMBL5880488

SCHEMBL5880488

O=S(=O)(c1cccc2cnccc12)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 4/20 0.72
PRKCG P05129 4/20 0.72
PRKCB P05771 4/20 0.72
CYP3A4 P08684 4/20 0.72
PRKCA P17252 4/20 0.72
PRKCH P24723 4/20 0.72
PRKCI P41743 4/20 0.72
PRKCE Q02156 4/20 0.72
PRKCQ Q04759 4/20 0.72
PRKCZ Q05513 4/20 0.72
PRKCD Q05655 4/20 0.72
PRKD1 Q15139 4/20 0.72
PRKACA P17612 3/20 0.72
PRKACG P22612 3/20 0.72
PRKACB P22694 3/20 0.72
ADORA3 P0DMS8 2/20 0.72
CYP2C19 P33261 2/20 0.72
KDM4E B2RXH2 1/20 0.72
CYP1A2 P05177 1/20 0.72
ROCK2 O75116 11/20 0.66

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
SCHEMBL10988523 0.87 ROCK2 (0.79) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL26584304 0.86 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL29770053 0.86 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL10985139 0.86 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6916059 0.86 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL7315948 0.85 PRKD3 (0.74) PRKD3PRKCGPRKCBCYP3A4PRKCA
Hydrochloric Acid SCHEMBL9617961 0.85 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL1272907 0.84 PRKD3 (1.00) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL30422637 0.84 PRKD3 (1.00) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL29968762 0.84 PRKD3 (1.00) PRKD3PRKCGPRKCBCYP3A4PRKCA

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 8 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
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
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 EP 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 PRKD3 1432/4885PRKCG 1785/4885PRKCB 1131/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B PRKD3 1412/4885PRKCG 1628/4885PRKCB 1007/4885

“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.