SCHEMBL5262954

SCHEMBL5262954

COc1cc2[nH]c(N3CCN(c4cc(C)ccn4)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ZAP70 P43403 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL5259650 0.93 SUV39H2 (0.38) SUV39H2CDK5CDK5R1ALDH1A1PARP1
SCHEMBL5264354 0.91 DCTPP1 (0.41) CDK5CDK5R1ALDH1A1PARP1DCTPP1
SCHEMBL5266876 0.88 CDK5 (0.50) CDK5CDK5R1ALDH1A1RAB9AMAPT
SCHEMBL5263654 0.83 HTR3E (0.41) CDK5CDK5R1PARP1DCTPP1DRD4
SCHEMBL5265955 0.83 DCTPP1 (0.41) CDK5CDK5R1ALDH1A1PARP1DCTPP1
SCHEMBL5263885 0.83 DCTPP1 (0.36) ALDH1A1DCTPP1RAB9AMAPTNPC1
SCHEMBL5264790 0.80 DCTPP1 (0.34) ALDH1A1PARP1DCTPP1RAB9AMAPT
SCHEMBL5260922 0.80 CDK5 (0.52) CDK5CDK5R1ALDH1A1RAB9AMAPT
SCHEMBL5262020 0.80 LMNA (0.39) CDK5CDK5R1ALDH1A1MAPTMEN1
SCHEMBL5265193 0.78 PDE3B (0.39) ALDH1A1DCTPP1MAPTNPC1MEN1

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 2 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

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 SUV39H2 3717/4885CDK5 2304/4885CDK5R1 1188/4885

“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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