SCHEMBL20164335

SCHEMBL20164335

CNc1nc(NCC(C)(C)O)c2nc(NC)nc(NCC3CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
GPR39 O43194 3/20 0.36
CDK2 P24941 4/20 0.35
CDK9 P50750 1/20 0.35
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
PRKCQ Q04759 2/20 0.33
FLT3 P36888 3/20 0.33
CHEK1 O14757 1/20 0.33
KHK P50053 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
CCNE1 P24864 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31

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 SCHEMBL20164660 0.99 TRIM58 (0.36) TRIM58TLR7GPR39CDK2CDK9
SCHEMBL20164707 0.84 LRRK2 (0.36) CDK2CDK9CCNE1
Hydrochloric Acid SCHEMBL20164642 0.82 LRRK2 (0.36) CDK2CDK9CCNE1
SCHEMBL20164711 0.82 ADORA3 (0.41) TLR7CDK2CDK9CCNA2CCNA1
SCHEMBL18360928 0.80 SLC29A1 (0.50) TRIM58TLR7GPR39CDK2CDK9
Hydrochloric Acid SCHEMBL20164577 0.79 SLC29A1 (0.49) TRIM58TLR7GPR39CDK2CDK9
SCHEMBL20164475 0.78 SLC29A1 (0.44) TLR7CDK2CDK9CCNE1KDM4E
SCHEMBL20164348 0.77 IDH2 (0.40) CDK2CDK9CCNE1
Hydrochloric Acid SCHEMBL20164584 0.77 SLC29A1 (0.43) TLR7CDK2CDK9CCNE1
Hydrochloric Acid SCHEMBL20164526 0.76 IDH2 (0.39) CDK2CDK9CCNE1

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 TRIM58 1932/4885TLR7 4569/4885GPR39 1837/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 TRIM58 705/4885TLR7 2851/4885GPR39 28/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 TRIM58 1126/4885TLR7 4584/4885GPR39 2438/4885

“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.