SCHEMBL20164535

SCHEMBL20164535

CCCNc1nc(NCC)c2nc(NC[C@@H](C)O)nc(NCC)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.48
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CDK2 P24941 5/20 0.39
CCNE1 P24864 3/20 0.39
CDK1 P06493 3/20 0.39
CDK9 P50750 2/20 0.36
CDK7 P50613 1/20 0.36
CDK5 Q00535 1/20 0.36
FLT3 P36888 4/20 0.36
APP P05067 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL20164374 1.00 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CDK2CCNE1
SCHEMBL20164373 1.00 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CDK2CCNE1
Hydrochloric Acid SCHEMBL20164634 0.98 SLC29A1 (0.47) SLC29A1CYP1A2CYP2C19CDK2CCNE1
Hydrochloric Acid SCHEMBL20164507 0.98 SLC29A1 (0.47) SLC29A1CYP1A2CYP2C19CDK2CCNE1
Hydrochloric Acid SCHEMBL20164510 0.98 SLC29A1 (0.47) SLC29A1CYP1A2CYP2C19CDK2CCNE1
SCHEMBL20164663 0.91 CDK2 (0.42) SLC29A1CDK2CCNE1CDK1CDK9
SCHEMBL20164392 0.91 CDK2 (0.42) SLC29A1CDK2CCNE1CDK1CDK9
SCHEMBL20164389 0.91 CDK2 (0.42) SLC29A1CDK2CCNE1CDK1CDK9
Hydrochloric Acid SCHEMBL20164619 0.89 CDK2 (0.41) SLC29A1CDK2CCNE1CDK1CDK9
Hydrochloric Acid SCHEMBL20164441 0.89 CDK2 (0.41) SLC29A1CDK2CCNE1CDK1CDK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US claimed
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2025-02-20 US disclosed
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 (3 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 4472/4885CYP1A2 2209/4885CYP2C19 2870/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 SLC29A1 2077/4885CYP1A2 2774/4885CYP2C19 2704/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CYP1A2 1724/4885CYP2C19 2435/4885

“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.