SCHEMBL22797115

SCHEMBL22797115

CCCCCCC(CC)c1cnc2c(=O)[nH]cnn12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 3/20 0.34
KDM4A O75164 3/20 0.34
KDM4D Q6B0I6 3/20 0.34
KDM3B Q7LBC6 3/20 0.34
HIF1AN Q9NWT6 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
ADORA2B P29275 1/20 0.34
NR1I2 O75469 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 3/20 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) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL22797271 0.88 PDE4A (0.33) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL21078631 0.75 ADA (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22399904 0.72 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL24235860 0.69 ADA (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21998567 0.69 TLR7 (0.35) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL22326777 0.68 ALDH1A1 (0.39) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL22547338 0.66 ALDH1A1 (0.39) ADORA2AALDH1A1
SCHEMBL24117695 0.66 TLR7 (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL22349649 0.63 TLR7 (0.32) ADORA2BADORA2A

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 KDM6B 3577/4885KDM4A 2872/4885KDM4D 3047/4885
US-20200392169-A1 ACYCLIC ANTIVIRALS PNP, DUT, TYMP KDM6B 3577/4885KDM4A 2872/4885KDM4D 3047/4885

“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.