SCHEMBL20179360

SCHEMBL20179360

CCCCNc1nc(NC)c2nc(NCC)nc(NC)c2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.61
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CASP6 P55212 1/20 0.38
SLC2A1 P11166 1/20 0.38
KCNH3 Q9ULD8 2/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DNM2 P50570 1/20 0.35

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
SCHEMBL16094262 0.95 SLC29A1 (0.67) SLC29A1CA1CA2CA9CASP6
Hydrochloric Acid SCHEMBL17494510 0.93 SLC29A1 (0.65) SLC29A1CA1CA2CA9CASP6
SCHEMBL16094592 0.87 LMNA (0.46) SLC29A1CYP1A2CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL17494523 0.85 LMNA (0.45) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL16094704 0.83 SLC29A1 (0.51) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL9913747 0.82 CYP1A2 (0.50) SLC29A1CYP1A2CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL16094696 0.82 SLC29A1 (0.50) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL9913716 0.81 CYP1A2 (0.57) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL16094226 0.80 SLC29A1 (0.77) SLC29A1CYP1A2CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL16094767 0.79 SLC29A1 (0.75) SLC29A1CYP1A2CYP2C19CA1CA2

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.