SCHEMBL20164679

SCHEMBL20164679

CC[C@H](C)Nc1nc(NC)c2nc(NC[C@H](C)O)nc(NC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CDK2 P24941 5/20 0.35
CCNE1 P24864 3/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK1 P06493 3/20 0.35
FLT3 P36888 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
IDH2 P48735 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC29A1 Q99808 1/20 0.33
CDK9 P50750 2/20 0.33
CDK7 P50613 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
SCHEMBL20164542 1.00 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
SCHEMBL20164351 1.00 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
SCHEMBL20164354 1.00 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
SCHEMBL20164508 1.00 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
Hydrochloric Acid SCHEMBL20164649 0.99 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
Hydrochloric Acid SCHEMBL20164552 0.99 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
Hydrochloric Acid SCHEMBL20164776 0.99 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
Hydrochloric Acid SCHEMBL20164549 0.99 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
Hydrochloric Acid SCHEMBL20164780 0.99 MEN1 (0.38) MEN1CYP1A2CYP2C19KMT2AATM
SCHEMBL20164462 0.82 SLC29A1 (0.44) MEN1CYP1A2CYP2C19KMT2ACDK2

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 MEN1 2683/4885CYP1A2 2209/4885CYP2C19 2870/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 MEN1 929/4885CYP1A2 2774/4885CYP2C19 2704/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 MEN1 2347/4885CYP1A2 1724/4885CYP2C19 2435/4885

“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.