SCHEMBL20164763

SCHEMBL20164763

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.60
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
IKBKB O14920 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 2/20 0.36
FLT3 P36888 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PGK1 P00558 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 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
Hydrochloric Acid SCHEMBL20164519 0.98 SLC29A1 (0.58) SLC29A1MAPK1KDM4EPOLBIKBKB
SCHEMBL20164443 0.89 SLC29A1 (0.66) SLC29A1MAPK1KDM4EPOLBGAA
Hydrochloric Acid SCHEMBL20164696 0.88 SLC29A1 (0.64) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL16094829 0.86 SLC29A1 (0.71) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164744 0.85 SLC29A1 (0.53) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164567 0.85 SLC29A1 (0.53) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20179371 0.85 SLC29A1 (0.53) SLC29A1MAPK1KDM4EPOLBGAA
Hydrochloric Acid SCHEMBL20164749 0.84 SLC29A1 (0.51) SLC29A1MAPK1KDM4EPOLBGAA
Hydrochloric Acid SCHEMBL20164521 0.84 SLC29A1 (0.51) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164364 0.84 SLC29A1 (0.51) SLC29A1MAPK1KDM4EPOLBGAA

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 7 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
CN-107708701-A Novel respiratory control modulating compounds and methods of making and using the same 纽拉德有限公司 2018-02-16 CN 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 4472/4885MAPK1 4681/4885KDM4E 2168/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885MAPK1 4702/4885KDM4E 2353/4885

“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.