SCHEMBL20164684

SCHEMBL20164684

CNc1nc(NC(C)C(C)O)nc2c(NC)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 6/20 0.41
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RY1 P47900 2/20 0.32
CDK1 P06493 3/20 0.31
CDK2 P24941 3/20 0.31
CDK4 P11802 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CDK3 Q00526 1/20 0.31
CDK5 Q00535 1/20 0.31
YTHDF3 Q7Z739 2/20 0.31
YTHDF1 Q9BYJ9 2/20 0.31
YTHDF2 Q9Y5A9 2/20 0.31
KDR P35968 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL30560022 1.00 YTHDC1 (0.41) YTHDC1GAATDP1P2RY1CDK1
SCHEMBL20164625 0.78 YTHDC1 (0.41) YTHDC1GAATDP1YTHDF3YTHDF1
SCHEMBL20164731 0.78 YTHDC1 (0.41) YTHDC1GAATDP1YTHDF3YTHDF1
SCHEMBL20179374 0.78 SLC29A1 (0.42) CDK1CDK2CDK4CDK7CDK9
SCHEMBL20164331 0.77 YTHDC1 (0.40) YTHDC1GAAP2RY1CDK1CDK2
SCHEMBL20164544 0.77 YTHDC1 (0.40) YTHDC1GAAP2RY1CDK1CDK2
SCHEMBL20164329 0.77 YTHDC1 (0.40) YTHDC1GAAP2RY1CDK1CDK2
SCHEMBL30560041 0.77 YTHDC1 (0.40) YTHDC1GAAP2RY1CDK1CDK2
Hydrochloric Acid SCHEMBL20164725 0.77 SLC29A1 (0.41) CDK1CDK2CDK4CDK7CDK9
SCHEMBL16094334 0.75 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 2024/4885GAA 1936/4885TDP1 3151/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 YTHDC1 2085/4885GAA 1576/4885TDP1 3085/4885

“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.