SCHEMBL20164730

SCHEMBL20164730

C=C(C)CNc1nc(NC)c2nc(Cl)nc(NC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 11/20 0.41
YTHDF3 Q7Z739 2/20 0.36
YTHDF1 Q9BYJ9 2/20 0.36
YTHDF2 Q9Y5A9 2/20 0.36
LMNA P02545 1/20 0.34
SLC29A1 Q99808 1/20 0.33
CDK1 P06493 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RY1 P47900 2/20 0.32
XDH P47989 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL30560030 1.00 YTHDC1 (0.41) YTHDC1YTHDF3YTHDF1YTHDF2LMNA
SCHEMBL30560033 1.00 YTHDC1 (0.41) YTHDC1YTHDF3YTHDF1YTHDF2LMNA
SCHEMBL30560023 0.86 LMNA (0.44) LMNASLC29A1CDK1CYP1A2CYP2C9
SCHEMBL20164423 0.86 LMNA (0.44) LMNASLC29A1CDK1CYP1A2CYP2C9
SCHEMBL20164757 0.79 SLC29A1 (0.54) YTHDC1LMNASLC29A1CDK1MEN1
SCHEMBL20164455 0.79 CDK2 (0.36) SLC29A1CDK1
SCHEMBL20164429 0.79 CDK2 (0.36) SLC29A1CDK1
SCHEMBL20164427 0.79 CDK2 (0.36) SLC29A1CDK1
Hydrochloric Acid SCHEMBL20164434 0.78 CDK2 (0.35) SLC29A1CDK1
Hydrochloric Acid SCHEMBL20164436 0.78 CDK2 (0.35) SLC29A1CDK1

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 2024/4885YTHDF3 1758/4885YTHDF1 2165/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 YTHDC1 2085/4885YTHDF3 1759/4885YTHDF1 2070/4885

“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.