SCHEMBL20164515

SCHEMBL20164515

CNc1nc(NC[C@H](C)O)nc2c(NC)nc(N)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.41
CCNE1 P24864 3/20 0.41
CDK1 P06493 4/20 0.36
FLT3 P36888 4/20 0.36
CDK9 P50750 2/20 0.34
CDK7 P50613 1/20 0.34
CDK5 Q00535 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRKACA P17612 1/20 0.32
CCNA2 P20248 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNA1 P78396 1/20 0.32
SLC29A1 Q99808 2/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31

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
SCHEMBL20164709 1.00 CDK2 (0.41) CDK2CCNE1CDK1FLT3CDK9
SCHEMBL20164517 1.00 CDK2 (0.41) CDK2CCNE1CDK1FLT3CDK9
Hydrochloric Acid SCHEMBL20164440 0.98 CDK2 (0.41) CDK2CCNE1CDK1FLT3CDK9
Hydrochloric Acid SCHEMBL20164442 0.98 CDK2 (0.41) CDK2CCNE1CDK1FLT3CDK9
Hydrochloric Acid SCHEMBL20164665 0.98 CDK2 (0.41) CDK2CCNE1CDK1FLT3CDK9
SCHEMBL20164574 0.87 CDK2 (0.43) CDK2CCNE1CDK1FLT3CDK9
SCHEMBL20164393 0.87 CDK2 (0.43) CDK2CCNE1CDK1FLT3CDK9
SCHEMBL20164396 0.87 CDK2 (0.43) CDK2CCNE1CDK1FLT3CDK9
Hydrochloric Acid SCHEMBL20164501 0.85 CDK2 (0.42) CDK2CCNE1CDK1FLT3CDK9
Hydrochloric Acid SCHEMBL20164504 0.85 CDK2 (0.42) CDK2CCNE1CDK1FLT3CDK9

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 CDK2 4026/4885CCNE1 4167/4885CDK1 3077/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885CCNE1 4321/4885CDK1 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.