SCHEMBL20164500

SCHEMBL20164500

CNc1nc(NCc2ncccn2)nc2c(NC)nc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 13/20 0.40
KCNH3 Q9ULD8 3/20 0.38
YTHDF3 Q7Z739 2/20 0.37
YTHDF1 Q9BYJ9 2/20 0.37
YTHDF2 Q9Y5A9 2/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
XDH P47989 1/20 0.35

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
SCHEMBL30560029 1.00 YTHDC1 (0.40) YTHDC1KCNH3YTHDF3YTHDF1YTHDF2
SCHEMBL30560028 1.00 YTHDC1 (0.40) YTHDC1KCNH3YTHDF3YTHDF1YTHDF2
SCHEMBL20164341 0.79 CCNE1 (0.44) KCNH3CLK1CLK2CLK3DYRK1A
Hydrochloric Acid SCHEMBL20164538 0.78 CCNE1 (0.43) KCNH3CLK1CLK2CLK3DYRK1A
SCHEMBL30560031 0.75 KMT2A (0.49) YTHDC1YTHDF3YTHDF1YTHDF2
SCHEMBL16094346 0.75 KMT2A (0.49) YTHDC1YTHDF3YTHDF1YTHDF2
SCHEMBL20164561 0.74 CYP1A2 (0.44) YTHDC1YTHDF3YTHDF1YTHDF2
SCHEMBL20164757 0.74 SLC29A1 (0.54) YTHDC1
SCHEMBL20164718 0.73 CDK2 (0.37) KCNH3CLK4
SCHEMBL16094334 0.73 YTHDC1 (0.61) YTHDC1YTHDF3YTHDF1YTHDF2XDH

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 YTHDC1 2024/4885KCNH3 822/4885YTHDF3 1758/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 YTHDC1 2085/4885KCNH3 1142/4885YTHDF3 1759/4885

“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.