SCHEMBL21381256

SCHEMBL21381256

CCCn1c(=O)n(C)c(=O)c2c1ncn2CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 1.00
PDE4B Q07343 14/20 1.00
PDE4C Q08493 14/20 1.00
PDE4D Q08499 14/20 1.00
ADORA2A P29274 9/20 1.00
ADORA2B P29275 7/20 1.00

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
SCHEMBL21381248 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL24198811 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL515570 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381260 0.88 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL29393229 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10178116 0.85 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381247 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL516014 0.84 ADORA2B (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316171 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL22471417 0.81 ADORA2B (0.68) 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.