SCHEMBL5259770

SCHEMBL5259770

COc1cc2[nH]c(N3CCN(CC(=O)N(C)C)CC3)nc(=O)c2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 10/20 0.42
▸ CCNT1 O60563 8/20 0.42
▸ TLR9 Q9NR96 5/20 0.40
▸ TLR8 Q9NR97 5/20 0.40
▸ TLR7 Q9NYK1 5/20 0.40
▸ AURKA O14965 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL5264229 0.87 ALDH1A1 (0.39) ALDH1A1GAACASP7
SCHEMBL5265193 0.85 PDE3B (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL5260022 0.82 MAPT (0.45) ALDH1A1GAASMN1; SMN2KCNH2
SCHEMBL5262125 0.81 KMT2A (0.40) ALDH1A1
SCHEMBL5260904 0.81 HTR1A (0.39) CDK9CCNT1ALDH1A1GAACASP7
SCHEMBL5262158 0.79 KDM4E (0.41) ALDH1A1GAACASP7SMN1; SMN2
SCHEMBL5264178 0.78 KDM4E (0.50) ALDH1A1GAA
Hydrochloric Acid SCHEMBL5262896 0.78 KDM4E (0.41) ALDH1A1GAACASP7SMN1; SMN2
SCHEMBL5264644 0.78 KMT2A (0.36) ALDH1A1GAASMN1; SMN2KCNH2
SCHEMBL5259891 0.76 GFER (0.35) ALDH1A1GAASMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
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

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 CDK9 2329/4885CCNT1 812/4885TLR9 4461/4885

“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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