SCHEMBL5652422

SCHEMBL5652422

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ FABP4 P15090 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL5621260 0.92 PIM1 (0.37) PIM1RXFP1CHRM2CHRM1CHRM3
SCHEMBL5620107 0.90 ACHE (0.39) PIM1RXFP1FABP4MEN1KMT2A
SCHEMBL5619899 0.89 RXFP1 (0.35) PIM1RXFP1FABP4MEN1KMT2A
SCHEMBL5622103 0.89 TLR9 (0.36) RXFP1FABP4MEN1KMT2ABRD4
SCHEMBL5620190 0.89 RXFP1 (0.37) RXFP1FABP4L3MBTL1MEN1KMT2A
SCHEMBL5622070 0.88 ACHE (0.42) RXFP1FABP4MEN1KMT2ABRD4
SCHEMBL5621849 0.87 BRD4 (0.35) RXFP1FABP4HPGDMEN1KMT2A
SCHEMBL5621341 0.87 RXFP1 (0.34) PIM1RXFP1FABP4HPGDKDM4E
SCHEMBL5620230 0.86 FABP4 (0.35) RXFP1FABP4HPGDKDM4EMEN1
SCHEMBL5621279 0.86 P2RX7 (0.39) RXFP1CHRM2CHRM1CHRM3FABP4

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
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

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 PIM1 4391/4885RXFP1 64/4885CHRM2 55/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B PIM1 4391/4885RXFP1 64/4885CHRM2 55/4885

“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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