SCHEMBL20164567

SCHEMBL20164567

CNc1nc(NCCOC)c2nc(NC)nc(NCCO)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.53
CDK5 Q00535 6/20 0.39
CDK5R1 Q15078 6/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
KCNH3 Q9ULD8 1/20 0.35
SYK P43405 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
TNF P01375 1/20 0.34
CRHR1 P34998 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34

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
Hydrochloric Acid SCHEMBL20164521 0.98 SLC29A1 (0.51) SLC29A1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL20164763 0.85 SLC29A1 (0.60) SLC29A1CDK5CDK5R1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL20164519 0.83 SLC29A1 (0.58) SLC29A1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL16094604 0.83 SLC29A1 (0.48) SLC29A1CDK5CDK5R1TLR8TLR7
SCHEMBL20164443 0.82 SLC29A1 (0.66) SLC29A1KDM4ETLR7MAPK1POLB
Hydrochloric Acid SCHEMBL20164696 0.81 SLC29A1 (0.64) SLC29A1KDM4ETLR7MAPK1POLB
SCHEMBL20164700 0.79 HTT (0.49) SLC29A1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL16094829 0.79 SLC29A1 (0.71) SLC29A1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL20164744 0.78 SLC29A1 (0.53) SLC29A1CDK5CDK5R1KDM4EALDH1A1
SCHEMBL20179371 0.78 SLC29A1 (0.53) SLC29A1CDK5CDK5R1KDM4EALDH1A1

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-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
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-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
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 4472/4885CDK5 1392/4885CDK5R1 1333/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CDK5 1768/4885CDK5R1 1842/4885

“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.