SCHEMBL20164385

SCHEMBL20164385

CCCNc1nc(NCC(F)(F)F)nc2c(NCCO)nc(NCC(F)(F)F)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.61
KMT2A Q03164 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
SYK P43405 2/20 0.36
CDK1 P06493 4/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
TYRO3 Q06418 3/20 0.34
PAK4 O96013 2/20 0.34
MAPK8 P45983 2/20 0.34
LRRK2 Q5S007 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CDK5 Q00535 2/20 0.34
SGK1 O00141 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKAB2 O43741 1/20 0.34
JAK2 O60674 1/20 0.34

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 SCHEMBL20164632 0.99 SLC29A1 (0.60) SLC29A1KMT2ATLR7SYKCDK1
SCHEMBL20164494 0.86 SLC29A1 (0.44) SLC29A1KMT2ATLR7SYKTYRO3
SCHEMBL20164744 0.85 SLC29A1 (0.53) SLC29A1KMT2ASYKCDK1GAA
Hydrochloric Acid SCHEMBL20164775 0.85 SLC29A1 (0.43) SLC29A1KMT2ATLR7SYKTYRO3
Hydrochloric Acid SCHEMBL20164666 0.84 SLC29A1 (0.51) SLC29A1KMT2ASYKCDK1GAA
SCHEMBL16094829 0.83 SLC29A1 (0.71) SLC29A1KMT2ACDK1GAAMAPK1
SCHEMBL20164443 0.83 SLC29A1 (0.66) SLC29A1KMT2ATLR7CDK1GAA
SCHEMBL20164499 0.83 SLC29A1 (0.71) SLC29A1KMT2ACDK1GAAMAPK1
Hydrochloric Acid SCHEMBL20164468 0.81 SLC29A1 (0.69) SLC29A1KMT2ACDK1GAAMAPK1
Hydrochloric Acid SCHEMBL20164696 0.81 SLC29A1 (0.64) SLC29A1KMT2ATLR7CDK1GAA

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
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 (2 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 SLC29A1 4472/4885KMT2A 2456/4885TLR7 4569/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885KMT2A 2528/4885TLR7 4584/4885

“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.