SCHEMBL20164494

SCHEMBL20164494

CCCNc1nc(NCC(F)(F)F)nc2c(NCC(C)(C)O)nc(NCC(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.44
IDH2 P48735 6/20 0.37
CDK5 Q00535 4/20 0.35
CDK7 P50613 3/20 0.35
PAK4 O96013 2/20 0.35
SYK P43405 2/20 0.35
MAPK8 P45983 2/20 0.35
TYRO3 Q06418 2/20 0.35
LRRK2 Q5S007 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CDK9 P50750 2/20 0.35
SGK1 O00141 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKAB2 O43741 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35

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 SCHEMBL20164775 0.99 SLC29A1 (0.43) SLC29A1IDH2CDK5CDK7PAK4
SCHEMBL20164502 0.87 SLC29A1 (0.48) SLC29A1CDK5CDK7CDK9TLR7
SCHEMBL20164475 0.87 SLC29A1 (0.44) SLC29A1IDH2CDK5CDK7LRRK2
SCHEMBL20164385 0.86 SLC29A1 (0.61) SLC29A1CDK5CDK7PAK4SYK
Hydrochloric Acid SCHEMBL20164610 0.86 SLC29A1 (0.47) SLC29A1CDK5CDK7CDK9TLR7
Hydrochloric Acid SCHEMBL20164584 0.86 SLC29A1 (0.43) SLC29A1IDH2CDK5CDK7LRRK2
Hydrochloric Acid SCHEMBL20164632 0.84 SLC29A1 (0.60) SLC29A1CDK5CDK7PAK4SYK
SCHEMBL20164661 0.84 SLC29A1 (0.48) SLC29A1IDH2CDK5CDK7CDK9
SCHEMBL20164430 0.84 SLC29A1 (0.43) SLC29A1IDH2CDK5CDK7CDK9
Hydrochloric Acid SCHEMBL20164559 0.83 SLC29A1 (0.47) SLC29A1IDH2CDK5CDK7CDK9

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 4472/4885IDH2 1873/4885CDK5 1392/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 SLC29A1 2077/4885IDH2 3645/4885CDK5 1726/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885IDH2 1674/4885CDK5 1768/4885

“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.