SCHEMBL20179388

SCHEMBL20179388

CCCNc1nc(NC)c2nc(NCCO)nc(NC)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.66
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
CDK1 P06493 4/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.37
IKBKB O14920 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 SCHEMBL20164590 0.98 SLC29A1 (0.64) SLC29A1KMT2AMEN1GAAMAPK1
SCHEMBL16094704 0.91 SLC29A1 (0.51) SLC29A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL16094829 0.90 SLC29A1 (0.71) SLC29A1KMT2AMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL16094696 0.89 SLC29A1 (0.50) SLC29A1KMT2AMEN1GAAMAPK1
SCHEMBL20164772 0.86 SLC29A1 (0.71) SLC29A1KMT2AMEN1GAAMAPK1
SCHEMBL20164443 0.86 SLC29A1 (0.66) SLC29A1KMT2AMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL20164696 0.85 SLC29A1 (0.64) SLC29A1KMT2AMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL20164399 0.85 SLC29A1 (0.69) SLC29A1KMT2AMEN1GAAMAPK1
SCHEMBL16094427 0.85 SLC29A1 (0.47) SLC29A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL20164757 0.83 SLC29A1 (0.54) SLC29A1KMT2AMEN1GAAMAPK1

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 4 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-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 4472/4885KMT2A 2456/4885MEN1 2683/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885KMT2A 2528/4885MEN1 2347/4885

“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.