SCHEMBL20164636

SCHEMBL20164636

C#CCNc1nc(Cl)nc2c(NCCO)nc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL16128026 0.85 SLC29A1 (0.40) SLC29A1KMT2AKDM4ERAD52
SCHEMBL20164431 0.81 SLC29A1 (0.46) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164638 0.81 SLC29A1 (0.54) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164652 0.80 SLC29A1 (0.44) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20179371 0.79 SLC29A1 (0.53) SLC29A1KMT2AKDM4EMAPK1POLB
Hydrochloric Acid SCHEMBL20164749 0.78 SLC29A1 (0.51) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164700 0.77 HTT (0.49) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164352 0.74 HTT (0.40) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164550 0.74 HTT (0.40) SLC29A1HTTKMT2AKDM4EMAPK1
SCHEMBL20164645 0.72 SLC29A1 (0.51) SLC29A1HTTKMT2AKDM4EMEN1

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 3 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
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 (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 4472/4885HTT 1972/4885KMT2A 2456/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885HTT 1791/4885KMT2A 2528/4885

“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.