SCHEMBL5261238

SCHEMBL5261238

COc1cc2[nH]c(Cl)nc(=O)c2c(C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.40
▸ PDE3A Q14432 5/20 0.40
▸ GRIN2D O15399 4/20 0.39
▸ GRIN3B O60391 4/20 0.39
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2A Q12879 4/20 0.39
▸ GRIN2B Q13224 4/20 0.39
▸ GRIN2C Q14957 4/20 0.39
▸ GRIN3A Q8TCU5 4/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ POLB P06746 2/20 0.37
▸ AMY1A P0DUB6 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL5264451 0.88 GRIN2D (0.43) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL5263286 0.81 KMT2A (0.39) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL5262850 0.78 PDE3B (0.43) PDE3BPDE3ACYP19A1NQO2POLB
SCHEMBL10743369 0.78 PDE3B (0.44) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL13982640 0.75 PDE3B (0.43) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL5793230 0.75 BRD4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5266152 0.74 ALDH1A1 (0.37) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL8808049 0.74 ALDH1A1 (0.54) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL5620844 0.73 ALDH1A1 (0.53) PDE3BPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL5262020 0.72 LMNA (0.39) POLBKDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP disclosed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — 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
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO disclosed
WO-2005005397-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — 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 (3 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 PDE3B 381/4885PDE3A 390/4885GRIN2D 1322/4885
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 PDE3B 598/4885PDE3A 860/4885GRIN2D 1450/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B PDE3B 381/4885PDE3A 390/4885GRIN2D 1322/4885

“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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