SCHEMBL20164403

SCHEMBL20164403

CCC(C)Nc1nc(NC)c2nc(NCC(C)(C)O)nc(NC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
CCNE1 P24864 6/20 0.36
CDK2 P24941 6/20 0.36
CDK5 Q00535 3/20 0.36
CDK7 P50613 5/20 0.35
CCNH P51946 5/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
IDH2 P48735 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC29A1 Q99808 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
SCHEMBL20164401 1.00 ATM (0.37) ATMCCNE1CDK2CDK5CDK7
SCHEMBL20164420 1.00 ATM (0.37) ATMCCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164673 0.99 ATM (0.36) ATMCCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164563 0.99 ATM (0.36) ATMCCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164566 0.99 ATM (0.36) ATMCCNE1CDK2CDK5CDK7
SCHEMBL20164315 0.85 MEN1 (0.34) ATMCCNE1CDK2CDK5CDK7
SCHEMBL20164703 0.85 MEN1 (0.34) ATMCCNE1CDK2CDK5CDK7
SCHEMBL20164319 0.85 MEN1 (0.34) ATMCCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164720 0.84 MEN1 (0.33) ATMCCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164682 0.84 MEN1 (0.33) ATMCCNE1CDK2CDK5CDK7

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 6 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-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 ATM 4728/4885CCNE1 4167/4885CDK2 4026/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 ATM 2619/4885CCNE1 2993/4885CDK2 3942/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 ATM 4731/4885CCNE1 4321/4885CDK2 4190/4885

“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.