SCHEMBL20164411

SCHEMBL20164411

CNc1nc(NCC(C)(C)O)c2nc(NC)nc(NCc3ncccn3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.43
CDK2 P24941 8/20 0.43
CDK5 Q00535 4/20 0.43
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
GPR39 O43194 1/20 0.36
IDH2 P48735 2/20 0.33
LRRK2 Q5S007 1/20 0.33
CDK1 P06493 3/20 0.33
CDK4 P11802 2/20 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 SCHEMBL20164706 0.99 CCNE1 (0.42) CCNE1CDK2CDK5CLK1CLK2
SCHEMBL20164341 0.88 CCNE1 (0.44) CCNE1CDK2CDK5CLK1CLK2
Hydrochloric Acid SCHEMBL20164538 0.87 CCNE1 (0.43) CCNE1CDK2CDK5CLK1CLK2
SCHEMBL20164718 0.83 CDK2 (0.37) CCNE1CDK2CDK5CLK4CDK7
SCHEMBL20164489 0.82 ACHE (0.56) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164707 0.81 LRRK2 (0.36) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164486 0.81 BCHE (0.54) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164642 0.80 LRRK2 (0.36) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164475 0.76 SLC29A1 (0.44) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164348 0.75 IDH2 (0.40) CCNE1CDK2CDK5CDK7CCNH

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 CCNE1 4167/4885CDK2 4026/4885CDK5 1392/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 CCNE1 2993/4885CDK2 3942/4885CDK5 1726/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CCNE1 4321/4885CDK2 4190/4885CDK5 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.