SCHEMBL20164589

SCHEMBL20164589

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
YTHDC1 Q96MU7 9/20 0.36
GAA P10253 1/20 0.32
P2RY1 P47900 1/20 0.31
PDE4A P27815 4/20 0.31
YTHDF3 Q7Z739 2/20 0.30
YTHDF1 Q9BYJ9 2/20 0.30
YTHDF2 Q9Y5A9 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 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
SCHEMBL20164390 0.84 SLC29A1 (0.40) CDK2CDK9CYP1A2CYP2C19LMNA
SCHEMBL20164425 0.83 YTHDC1 (0.38) YTHDC1GAAP2RY1YTHDF3YTHDF1
SCHEMBL20164544 0.83 YTHDC1 (0.40) CDK2CDK9YTHDC1GAAP2RY1
SCHEMBL20164331 0.83 YTHDC1 (0.40) CDK2CDK9YTHDC1GAAP2RY1
SCHEMBL20164329 0.83 YTHDC1 (0.40) CDK2CDK9YTHDC1GAAP2RY1
SCHEMBL30560041 0.83 YTHDC1 (0.40) CDK2CDK9YTHDC1GAAP2RY1
Hydrochloric Acid SCHEMBL20164571 0.83 SLC29A1 (0.40) CDK2CDK9CYP1A2CYP2C19LMNA
SCHEMBL20164785 0.81 YTHDC1 (0.41) YTHDC1P2RY1YTHDF3YTHDF1YTHDF2
SCHEMBL30560024 0.81 YTHDC1 (0.41) YTHDC1P2RY1YTHDF3YTHDF1YTHDF2
SCHEMBL30560025 0.81 YTHDC1 (0.41) CDK2CDK9YTHDC1P2RY1YTHDF3

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 CDK2 4026/4885CDK9 4092/4885YTHDC1 2024/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885CDK9 4292/4885YTHDC1 2085/4885

“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.