SCHEMBL20164353

SCHEMBL20164353

CNc1nc(N(C)C2CC2)c2nc(NC)nc(NCCO)c2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.47
SLC29A1 Q99808 8/20 0.45
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
IKBKB O14920 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 SCHEMBL20164575 0.99 CDK1 (0.46) CDK1SLC29A1CCNE2CCNE1CDK2
SCHEMBL20164763 0.80 SLC29A1 (0.60) CDK1SLC29A1CCNE2CCNE1CDK2
SCHEMBL20164565 0.80 SLC29A1 (0.45) CDK1SLC29A1MAPK1ALDH1A1IKBKB
Hydrochloric Acid SCHEMBL20164519 0.79 SLC29A1 (0.58) CDK1SLC29A1CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164306 0.79 SLC29A1 (0.44) CDK1SLC29A1MAPK1ALDH1A1IKBKB
SCHEMBL18360928 0.77 SLC29A1 (0.50) CDK1SLC29A1CCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL20164577 0.76 SLC29A1 (0.49) SLC29A1CDK2MAPK1ALDH1A1
SCHEMBL20164443 0.74 SLC29A1 (0.66) CDK1SLC29A1MAPK1
Hydrochloric Acid SCHEMBL20164696 0.73 SLC29A1 (0.64) CDK1SLC29A1MAPK1
SCHEMBL20164637 0.73 SLC29A1 (0.51) SLC29A1

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 CDK1 3077/4885SLC29A1 4472/4885CCNE2 3622/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK1 3444/4885SLC29A1 4518/4885CCNE2 3731/4885

“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.