SCHEMBL5264455

SCHEMBL5264455

COc1cc2nc(Cl)[nH]c(=O)c2c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.45
▸ PDE3A Q14432 5/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ AMY1A P0DUB6 3/20 0.39
▸ SLC10A2 Q12908 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL5262850 0.88 PDE3B (0.43) PDE3BPDE3ABRD4AMY1ASLC10A2
SCHEMBL4980044 0.77 PDE5A (0.45) PDE3BPDE3ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL5264451 0.77 GRIN2D (0.43) PDE3BPDE3ANPC1SMN1; SMN2GRIN2D
SCHEMBL3319211 0.76 KDM4E (0.56) PDE3BPDE3ASMN1; SMN2ALDH1A1GAA
SCHEMBL29533227 0.76 KDM4E (0.56) PDE3BPDE3ASMN1; SMN2ALDH1A1GAA
SCHEMBL29033613 0.75 TUBB1 (0.43) PDE3BPDE3ABRD4ALDH1A1GAA
SCHEMBL29033632 0.72 BRD4 (0.54) NPC1SMN1; SMN2BRD4SLC10A2ALDH1A1
SCHEMBL6912846 0.72 SRC (0.48) PDE3BPDE3ANPC1SMN1; SMN2BRD4
SCHEMBL30353903 0.72 SRC (0.48) PDE3BPDE3ANPC1SMN1; SMN2BRD4
SCHEMBL1191538 0.72 AMY1A (0.46) PDE3BPDE3ASMN1; SMN2GRIN2DGRIN3B

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
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP disclosed
CN-1845908-A 5-substituted quinazolinone derivatives HOFFMANN LA ROCHE (CH) 2006-10-11 — — CN disclosed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES 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
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 (1 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-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 PDE3B 598/4885PDE3A 860/4885NPC1 1690/4885

“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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