SCHEMBL20164406

SCHEMBL20164406

CCCNc1nc(NC)c2nc(NCC(C)(C)O)nc(NC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.44
KMT2A Q03164 2/20 0.39
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDH2 P48735 2/20 0.34
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK5 Q00535 3/20 0.33
APP P05067 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNT1 O60563 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
Hydrochloric Acid SCHEMBL20164717 0.98 SLC29A1 (0.43) SLC29A1KMT2ACA1CA2CA9
SCHEMBL20164661 0.88 SLC29A1 (0.48) SLC29A1KMT2ACA1CA2CA9
SCHEMBL20164348 0.87 IDH2 (0.40) SLC29A1CA1CA2CA9IDH2
Hydrochloric Acid SCHEMBL20164559 0.87 SLC29A1 (0.47) SLC29A1KMT2ACA1CA2CA9
Hydrochloric Acid SCHEMBL20164526 0.86 IDH2 (0.39) SLC29A1CA1CA2CA9IDH2
SCHEMBL20164477 0.85 SLC29A1 (0.38) SLC29A1KMT2ACA1CA2CA9
SCHEMBL16094704 0.85 SLC29A1 (0.51) SLC29A1KMT2ACA1CA2CA9
SCHEMBL20164475 0.85 SLC29A1 (0.44) SLC29A1KMT2AIDH2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164693 0.84 SLC29A1 (0.37) SLC29A1KMT2AAPPBCHEACHE
Hydrochloric Acid SCHEMBL20164584 0.84 SLC29A1 (0.43) SLC29A1KMT2AIDH2CCNE1CDK2

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 4472/4885KMT2A 2456/4885CA1 500/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 SLC29A1 2077/4885KMT2A 1865/4885CA1 4650/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885KMT2A 2528/4885CA1 379/4885

“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.