SCHEMBL20164615

SCHEMBL20164615

CNc1nc(NCc2ccccc2)c2nc(NC)nc(NCCO)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
CDK1 P06493 5/20 0.58
CDK2 P24941 5/20 0.58
CDK5 Q00535 4/20 0.58
CCNE1 P24864 3/20 0.58
CCNB2 O95067 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNB3 Q8WWL7 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
CDK5R1 Q15078 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CCNE2 O96020 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58

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
Hydrochloric Acid SCHEMBL20164600 0.99 CDK1 (0.57) BCHEACHECDK1CDK2CDK5
SCHEMBL20164489 0.81 ACHE (0.56) BCHEACHECDK1CDK2CDK5
SCHEMBL20164763 0.80 SLC29A1 (0.60) BCHEACHECDK1CDK2CDK5
Hydrochloric Acid SCHEMBL20164486 0.80 BCHE (0.54) BCHEACHECDK1CDK2CDK5
SCHEMBL20164596 0.80 APP (0.56) CDK1CDK2CDK5CCNE1CCNB2
SCHEMBL9350959 0.80 RAD52 (0.66) BCHEACHECDK1CDK2CDK5
SCHEMBL13896844 0.80 CDK1 (0.57) BCHEACHECDK1CDK2CDK5
Hydrochloric Acid SCHEMBL20164519 0.79 SLC29A1 (0.58) BCHEACHECDK1CDK2CDK5
SCHEMBL20164443 0.77 SLC29A1 (0.66) BCHEACHECDK1KDM4EGAA
SCHEMBL14040729 0.76 CDK1 (0.54) BCHEACHECDK1CDK2CDK5

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 6 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
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-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
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 BCHE 156/4885ACHE 88/4885CDK1 3077/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 BCHE 98/4885ACHE 19/4885CDK1 3444/4885

“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.