Acefylline

Acefylline

SCHEMBL17204841

[2H]C([2H])([2H])n1c(=O)n(C)c(=O)c2c1ncn2CC(=O)O

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.84
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 1/20 0.55
MAPK1 P28482 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53

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
Acefylline SCHEMBL18191994 0.92 ADORA2B (1.00) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
Acefylline SCHEMBL308514 0.92 ADORA2B (1.00) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
Acefylline SCHEMBL8402147 0.90 ADORA2B (0.97) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
Acefylline SCHEMBL1173152 0.86 ADORA2B (0.89) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
Acefylline SCHEMBL356114 0.84 ADORA2B (0.85) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
Acefylline SCHEMBL5493561 0.84 ADORA2B (0.85) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18526741 0.83 SMN1; SMN2 (0.65) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11531219 0.80 ADORA2B (0.78) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17163939 0.80 ADORA2B (0.78) ADORA2BSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10178116 0.80 PDE4A (0.81) ADORA2BPDE4APDE4BPDE4CPDE4D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 WO 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 ADORA2B 161/4885SMN1; SMN2 713/4885MEN1 2983/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 ADORA2B 161/4885SMN1; SMN2 713/4885MEN1 2983/4885

“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.