SCHEMBL21381262

SCHEMBL21381262

CCCCCn1c(=O)c2c(ncn2C)n(CCC)c1=O

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.91
▸ PDE4B Q07343 8/20 0.91
▸ PDE4C Q08493 8/20 0.91
▸ PDE4D Q08499 8/20 0.91
▸ ADORA2A P29274 7/20 0.91
▸ ADORA2B P29275 4/20 0.85
▸ CYP1A2 P05177 2/20 0.85
▸ PMP22 Q01453 2/20 0.85
▸ CYP3A4 P08684 1/20 0.85
▸ BLM P54132 1/20 0.85
▸ HSD17B10 Q99714 1/20 0.85
▸ TNF P01375 2/20 0.67
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL21381251 0.99 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316911 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL266179 0.88 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27348729 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
Pentifylline SCHEMBL147256 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23144749 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27334771 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381243 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381252 0.85 ADORA2A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11614401 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A

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 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885

“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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