SCHEMBL20179367

SCHEMBL20179367

CCCNc1nc(NC)c2nc(NCC(O)CC)nc(NC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.43
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
ATG4B Q9Y4P1 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL20164506 1.00 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19APPBCHE
Hydrochloric Acid SCHEMBL20164415 0.99 SLC29A1 (0.42) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20164702 0.90 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20179426 0.90 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19APPBCHE
Hydrochloric Acid SCHEMBL20164336 0.89 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20164346 0.88 SLC29A1 (0.36) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20164462 0.87 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20164465 0.87 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL20164485 0.87 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
Hydrochloric Acid SCHEMBL20164312 0.87 SLC29A1 (0.35) SLC29A1CYP1A2CYP2C19KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 SLC29A1 4472/4885CYP1A2 2209/4885CYP2C19 2870/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CYP1A2 1724/4885CYP2C19 2435/4885

“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.