SCHEMBL20164618

SCHEMBL20164618

CCCNc1nc(N(C)C)nc2c(NCC(O)CO)ncnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CDK1 P06493 2/20 0.35
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CHEK1 O14757 1/20 0.34
KHK P50053 2/20 0.33
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.32
CHRM4 P08173 1/20 0.32
POLB P06746 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
RAF1 P04049 1/20 0.31

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 SCHEMBL20164447 0.99 SLC29A1 (0.44) SLC29A1ALDH1A1KDM4ECDK1CCNB2
SCHEMBL20164375 0.92 SLC29A1 (0.43) SLC29A1ALDH1A1KDM4ECDK1CCNB2
Hydrochloric Acid SCHEMBL20164607 0.91 SLC29A1 (0.42) SLC29A1ALDH1A1KDM4ECDK1CCNB2
SCHEMBL20164498 0.88 SLC29A1 (0.44) SLC29A1ALDH1A1KDM4ECDK1CCNB2
Hydrochloric Acid SCHEMBL20164588 0.87 SLC29A1 (0.43) SLC29A1ALDH1A1KDM4ECDK1CCNB2
SCHEMBL20164445 0.86 SLC29A1 (0.55) SLC29A1ALDH1A1KDM4EKHKSMN1; SMN2
Hydrochloric Acid SCHEMBL20164699 0.84 SLC29A1 (0.53) SLC29A1ALDH1A1KDM4EKHKSMN1; SMN2
SCHEMBL20164591 0.84 SLC29A1 (0.41) SLC29A1ALDH1A1KDM4ECDK1CCNB2
Hydrochloric Acid SCHEMBL20164548 0.84 SLC29A1 (0.40) SLC29A1ALDH1A1KDM4ECDK1CCNB2
SCHEMBL20164527 0.83 SLC29A1 (0.52) SLC29A1ALDH1A1KDM4ECDK1CCNB2

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 4472/4885ALDH1A1 2164/4885KDM4E 2168/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885ALDH1A1 2004/4885KDM4E 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.