SCHEMBL21381252

SCHEMBL21381252

CCCCn1c(=O)c2c(ncn2CCCC)n(CCC)c1=O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.82
▸ PDE4A P27815 13/20 0.76
▸ PDE4B Q07343 13/20 0.76
▸ PDE4C Q08493 13/20 0.76
▸ PDE4D Q08499 13/20 0.76
▸ ADORA2B P29275 7/20 0.71
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
SCHEMBL316171 0.91 PDE4A (0.82) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8912388 0.90 PDE4A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9040437 0.90 ADORA2A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21381260 0.90 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11458625 0.88 PDE4A (0.73) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11471017 0.87 PDE4A (0.69) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10872056 0.87 PDE4A (0.95) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11456819 0.87 PDE4A (0.77) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11466640 0.87 PDE4A (0.65) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8912384 0.86 PDE4A (0.65) ADORA2APDE4APDE4BPDE4CPDE4D

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-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 — — US disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 — — 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 ADORA2A 3171/4885PDE4A 1873/4885PDE4B 1806/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ADORA2A 3171/4885PDE4A 1873/4885PDE4B 1806/4885

“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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