SCHEMBL20164707

SCHEMBL20164707

CNc1nc(NCC(C)(C)O)c2nc(NC)nc(NC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.36
SLC29A1 Q99808 1/20 0.35
IDH2 P48735 1/20 0.34
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK5 Q00535 3/20 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
CDK9 P50750 1/20 0.33
IL1B P01584 1/20 0.32
CFTR P13569 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PDE4A P27815 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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 SCHEMBL20164642 0.98 LRRK2 (0.36) LRRK2SLC29A1IDH2CCNE1CDK2
SCHEMBL20164348 0.93 IDH2 (0.40) LRRK2SLC29A1IDH2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164526 0.92 IDH2 (0.39) LRRK2SLC29A1IDH2CCNE1CDK2
SCHEMBL20164475 0.87 SLC29A1 (0.44) LRRK2SLC29A1IDH2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164584 0.86 SLC29A1 (0.43) LRRK2SLC29A1IDH2CCNE1CDK2
SCHEMBL20164609 0.85 LRRK2 (0.33) LRRK2SLC29A1IDH2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164690 0.84 LRRK2 (0.32) LRRK2SLC29A1IDH2CCNE1CDK2
SCHEMBL20164335 0.84 TRIM58 (0.37) CCNE1CDK2CDK9
SCHEMBL20164319 0.82 MEN1 (0.34) SLC29A1CCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164660 0.82 TRIM58 (0.36) CCNE1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LRRK2 4682/4885SLC29A1 4472/4885IDH2 1873/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 LRRK2 1013/4885SLC29A1 2077/4885IDH2 3645/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 LRRK2 4736/4885SLC29A1 4518/4885IDH2 1674/4885

“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.