SCHEMBL20164573

SCHEMBL20164573

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 8/20 0.40
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CDK5 Q00535 3/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
CDK5R1 Q15078 2/20 0.35
IDH2 P48735 2/20 0.34
PDE4A P27815 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
YTHDF3 Q7Z739 2/20 0.33
YTHDF1 Q9BYJ9 2/20 0.33
YTHDF2 Q9Y5A9 2/20 0.33
KMT2A Q03164 1/20 0.33
SLC29A1 Q99808 1/20 0.32
IDH1 O75874 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
SCHEMBL20164348 0.87 IDH2 (0.40) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164526 0.86 IDH2 (0.39) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164406 0.82 SLC29A1 (0.44) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164707 0.81 LRRK2 (0.36) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164717 0.81 SLC29A1 (0.43) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164642 0.80 LRRK2 (0.36) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164322 0.79 IDH2 (0.35) CCNE1CDK2CDK5CDK7CCNH
Hydrochloric Acid SCHEMBL20164554 0.78 IDH2 (0.34) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164401 0.78 ATM (0.37) CCNE1CDK2CDK5CDK7CCNH
SCHEMBL20164403 0.78 ATM (0.37) CCNE1CDK2CDK5CDK7CCNH

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 2024/4885CCNE1 4167/4885CDK2 4026/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 YTHDC1 2085/4885CCNE1 4321/4885CDK2 4190/4885

“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.