SCHEMBL20164744

SCHEMBL20164744

CNc1nc(NCC(F)(F)F)c2nc(NC)nc(NCCO)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.53
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 1/20 0.33
FLT3 P36888 1/20 0.33
CDK1 P06493 3/20 0.33
ATM Q13315 1/20 0.32
IL1B P01584 1/20 0.32
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 SCHEMBL20164666 0.98 SLC29A1 (0.51) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164763 0.85 SLC29A1 (0.60) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164385 0.85 SLC29A1 (0.61) SLC29A1MAPK1KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL20164632 0.84 SLC29A1 (0.60) SLC29A1MAPK1KDM4EGAAMEN1
Hydrochloric Acid SCHEMBL20164519 0.83 SLC29A1 (0.58) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164443 0.82 SLC29A1 (0.66) SLC29A1MAPK1KDM4EPOLBGAA
Hydrochloric Acid SCHEMBL20164696 0.81 SLC29A1 (0.64) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164364 0.80 SLC29A1 (0.51) SLC29A1MAPK1KDM4EPOLBGAA
SCHEMBL20164550 0.79 HTT (0.40) SLC29A1MAPK1KDM4EPOLBKMT2A
SCHEMBL16094829 0.79 SLC29A1 (0.71) SLC29A1MAPK1KDM4EPOLBGAA

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 4472/4885MAPK1 4681/4885KDM4E 2168/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885MAPK1 4702/4885KDM4E 2353/4885

“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.