SCHEMBL5620107

SCHEMBL5620107

COc1cc2[nH]c(N(C)Cc3cccc(CN(C)C)c3)nc(=O)c2c(C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.39
▸ TNKS O95271 1/20 0.38
▸ HTR7 P34969 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NEK1 Q96PY6 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL5619899 0.92 RXFP1 (0.35) ACHETNKSRXFP1FABP4BRD4
SCHEMBL5622444 0.92 ACHE (0.40) ACHETNKSHTR7RXFP1FABP4
SCHEMBL5622070 0.91 ACHE (0.42) ACHERXFP1FABP4PARP1BRD4
SCHEMBL5621849 0.91 BRD4 (0.35) ACHEHTR7RXFP1FABP4PARP1
SCHEMBL5620190 0.90 RXFP1 (0.37) RXFP1FABP4BRD4MEN1KMT2A
SCHEMBL5652422 0.90 PIM1 (0.36) RXFP1FABP4BRD4MEN1KMT2A
SCHEMBL5622103 0.90 TLR9 (0.36) RXFP1FABP4BRD4TLR8TLR7
SCHEMBL5621753 0.90 FABP4 (0.35) ACHERXFP1FABP4BRD4MEN1
SCHEMBL5621850 0.90 ACHE (0.35) ACHERXFP1FABP4BRD4MEN1
SCHEMBL5621813 0.90 PARP1 (0.34) ACHEHTR7RXFP1FABP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — US claimed
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO claimed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ACHE 1149/4885TNKS 2315/4885HTR7 95/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ACHE 1149/4885TNKS 2315/4885HTR7 95/4885

“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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