SCHEMBL5261108

SCHEMBL5261108

COc1cc2[nH]c(N3CCC(CCn4ccnc4)CC3)nc(=O)c2c(C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.39
▸ IMPDH2 P12268 1/20 0.36
▸ QPCT Q16769 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ENPP1 P22413 1/20 0.33

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
SCHEMBL5263636 0.93 IMPDH2 (0.37) CYP19A1IMPDH2QPCTIDH1PDE4A
SCHEMBL5264016 0.84 ENPP1 (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5262413 0.84 POLB (0.33) LMNAPOLBENPP1
SCHEMBL5262331 0.80 CYP1A2 (0.35) IDH1LMNAPOLBKMT2A
SCHEMBL5263046 0.80 CYP1A2 (0.35) IDH1LMNAPOLBKMT2A
SCHEMBL5263136 0.80 CYP1A2 (0.35) IDH1LMNAPOLBKMT2A
SCHEMBL5266123 0.78 MEN1 (0.50) LMNAMEN1KMT2A
SCHEMBL5264055 0.77 DPP4 (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5263551 0.77 ENPP1 (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5264790 0.75 DCTPP1 (0.34) LMNAPOLBMEN1KMT2A

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 claimed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP claimed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 — — US claimed
WO-2005005397-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO 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 CYP19A1 962/4885IMPDH2 2587/4885QPCT 969/4885

“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.

Send feedback