SCHEMBL22797271

SCHEMBL22797271

CCCCC(CCC)c1cnc2c(=O)[nH]cnn12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.33
ADORA2A P29274 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
KDM6B O15054 3/20 0.32
KDM4A O75164 3/20 0.32
KDM4D Q6B0I6 3/20 0.32
KDM3B Q7LBC6 3/20 0.32
HIF1AN Q9NWT6 3/20 0.32
KDM5B Q9UGL1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2B P29275 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
SCHEMBL22349659 0.90 ALDH1A1 (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22797115 0.88 KDM6B (0.34) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL18526389 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22399904 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL22326777 0.70 ALDH1A1 (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL24117695 0.70 TLR7 (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL18520816 0.68 ALDH1A1 (0.42) ADORA2AALDH1A1
SCHEMBL22547338 0.68 ALDH1A1 (0.39) ADORA2AALDH1A1
SCHEMBL24633433 0.67 TLR7 (0.33) ADORA2AADORA2B
SCHEMBL24235860 0.66 ADA (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1

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-11472826-B2 Acyclic antivirals JANSSEN PHARMACEUTICA NV (BE) 2022-10-18 US disclosed
US-20200392169-A1 ACYCLIC ANTIVIRALS JANSSEN BIOPHARMA, LLC 2020-12-17 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 (2 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-11472826-B2 Acyclic antivirals PNP, DUT, TYMP PDE4A 149/4885ADORA2A 161/4885PDE4B 159/4885
US-20200392169-A1 ACYCLIC ANTIVIRALS PNP, DUT, TYMP PDE4A 149/4885ADORA2A 161/4885PDE4B 159/4885

“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.