SCHEMBL29732718

SCHEMBL29732718

Cc1nc(OC2CCC2)nc(N2CCC2)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 6/20 0.36
▸ PDE4A P27815 4/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ PDE4C Q08493 4/20 0.36
▸ PDE4D Q08499 4/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ SCD O00767 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
SCHEMBL19900199 1.00 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL29732827 0.82 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19900207 0.82 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19899806 0.76 LRRK2 (0.36) FFAR4
SCHEMBL19914945 0.76 ACACB (0.33) NTSR1ACACB
SCHEMBL19900144 0.73 ALDH1A1 (0.36) FFAR4HRH4PDE10AALDH1A1SCD
SCHEMBL19900284 0.71 ALDH1A1 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19914944 0.69 SMN1; SMN2 (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19900198 0.65 CHRM3 (0.32) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL11788368 0.65 PTGS1 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390605-B2 Substituted pyrimidine compounds as multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-07-19 — — US 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-11390605-B2 Substituted pyrimidine compounds as multifunctional radical quenchers and their uses DPYD, TYMP, NUDT1 CHRM3 2248/4885PDE4A 1204/4885PDE4B 1256/4885

“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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