SCHEMBL21381243

SCHEMBL21381243

CCCn1c(=O)n(CC)c(=O)c2c1ncn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 1.00
▸ ADORA2A P29274 8/20 1.00
▸ PDE4B Q07343 8/20 1.00
▸ PDE4C Q08493 8/20 1.00
▸ PDE4D Q08499 8/20 1.00
▸ ADORA2B P29275 5/20 0.88
▸ CYP1A2 P05177 1/20 0.88
▸ CYP3A4 P08684 1/20 0.88
▸ BLM P54132 1/20 0.88
▸ PMP22 Q01453 1/20 0.88
▸ HSD17B10 Q99714 1/20 0.88
▸ TNF P01375 1/20 0.61

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
SCHEMBL4651994 0.93 ADORA2A (0.88) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL316911 0.93 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
Fluoride SCHEMBL30358487 0.92 ADORA2A (0.85) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL21381247 0.87 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL21381262 0.86 PDE4A (0.91) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL516446 0.85 ADORA2A (0.74) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL21381251 0.85 PDE4A (0.89) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL315740 0.84 ADORA2B (0.82) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL16697212 0.82 ADORA2A (0.79) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL30120870 0.81 ADORA2A (0.68) PDE4AADORA2APDE4BPDE4CPDE4D

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 1873/4885ADORA2A 3171/4885PDE4B 1806/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PDE4A 1873/4885ADORA2A 3171/4885PDE4B 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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