SCHEMBL20164616

SCHEMBL20164616

CCCNc1nc(NC)nc2c(NCC(O)CO)nc(NC)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.46
CDK2 P24941 4/20 0.34
CCNE1 P24864 3/20 0.34
CDK5 Q00535 2/20 0.34
CCNE2 O96020 2/20 0.33
IDH2 P48735 3/20 0.32
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CSNK1A1 P48729 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
APP P05067 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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 SCHEMBL20164444 0.99 SLC29A1 (0.44) SLC29A1CDK2CCNE1CDK5CCNE2
SCHEMBL20164371 0.90 SLC29A1 (0.43) SLC29A1TLR7APPBCHEACHE
Hydrochloric Acid SCHEMBL20164604 0.89 SLC29A1 (0.42) SLC29A1TLR7APPBCHEACHE
SCHEMBL20164702 0.86 SLC29A1 (0.46) SLC29A1CDK2CCNE1CDK5CCNE2
SCHEMBL20179368 0.86 SLC29A1 (0.46) SLC29A1TLR7APPBCHEACHE
SCHEMBL20179426 0.86 SLC29A1 (0.46) SLC29A1CDK2CCNE1CDK5CCNE2
SCHEMBL20164310 0.85 SLC29A1 (0.44) SLC29A1CDK2CCNE1CDK5CDK9
SCHEMBL20164624 0.85 SLC29A1 (0.44) SLC29A1CDK2CCNE1CDK5CDK9
SCHEMBL20164496 0.85 SLC29A1 (0.44) SLC29A1CDK2CCNE1CDK5CDK9
Hydrochloric Acid SCHEMBL20164336 0.84 SLC29A1 (0.44) SLC29A1CDK2CCNE1CDK5CCNE2

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 4472/4885CDK2 4026/4885CCNE1 4167/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CDK2 4190/4885CCNE1 4321/4885

“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.