SCHEMBL5264016

SCHEMBL5264016

COc1cc2[nH]c(N3CCC(CCn4ccnc4N)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 5/20 0.36
▸ DCTPP1 Q9H773 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ NEK2 P51955 3/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CFD P00746 1/20 0.30

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
SCHEMBL5263551 0.93 ENPP1 (0.37) ENPP1DCTPP1POLBLMNAHTR4
SCHEMBL5261108 0.84 CYP19A1 (0.39) ENPP1POLBLMNAPDE4APDE4B
SCHEMBL5262413 0.83 POLB (0.33) ENPP1DCTPP1POLBLMNATP53
SCHEMBL5262331 0.79 CYP1A2 (0.35) POLBLMNAKMT2A
SCHEMBL5263136 0.79 CYP1A2 (0.35) POLBLMNAKMT2A
SCHEMBL5263046 0.79 CYP1A2 (0.35) POLBLMNAKMT2A
SCHEMBL5264790 0.78 DCTPP1 (0.34) DCTPP1POLBLMNAMEN1KMT2A
SCHEMBL5266123 0.77 MEN1 (0.50) LMNAMEN1KMT2A
SCHEMBL5263636 0.77 IMPDH2 (0.37) ENPP1POLBLMNAPDE4APDE4B
SCHEMBL5264055 0.76 DPP4 (0.37) ENPP1DCTPP1POLBLMNAPDE5A

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 ENPP1 3609/4885DCTPP1 3859/4885POLB 1321/4885

“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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