SCHEMBL20164783

SCHEMBL20164783

CNc1nc(N(C)C)nc2c(NC)nc(NCCO)nc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 13/20 0.51
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
IKBKB O14920 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CDK1 P06493 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 SCHEMBL20164622 0.98 SLC29A1 (0.50) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16094477 0.86 SLC29A1 (0.44) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20164565 0.84 SLC29A1 (0.45) SLC29A1ALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL20164306 0.83 SLC29A1 (0.44) SLC29A1ALDH1A1KMT2AMEN1GAA
SCHEMBL20179388 0.81 SLC29A1 (0.66) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL20164590 0.80 SLC29A1 (0.64) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16094717 0.79 SLC29A1 (0.55) SLC29A1CA1CA2CA9
SCHEMBL1817685 0.78 GAA (0.50) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1817811 0.78 GAA (0.50) SLC29A1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20164757 0.78 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 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 4472/4885ALDH1A1 2164/4885SMN1; SMN2 463/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885ALDH1A1 2004/4885SMN1; SMN2 454/4885

“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.