SCHEMBL20164396

SCHEMBL20164396

CCNc1nc(NCC(C)O)nc2c(NCC)nc(N)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.43
CCNE1 P24864 3/20 0.43
CDK1 P06493 4/20 0.38
SLC29A1 Q99808 2/20 0.37
CDK9 P50750 3/20 0.35
CDK5 Q00535 2/20 0.35
CDK7 P50613 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK1 P28482 2/20 0.34
PRKACA P17612 1/20 0.34
CCNA2 P20248 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
MAPK3 P27361 1/20 0.34
CCNA1 P78396 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20164393 1.00 CDK2 (0.43) CDK2CCNE1CDK1SLC29A1CDK9
SCHEMBL20164574 1.00 CDK2 (0.43) CDK2CCNE1CDK1SLC29A1CDK9
Hydrochloric Acid SCHEMBL20164504 0.99 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
Hydrochloric Acid SCHEMBL20164701 0.99 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
Hydrochloric Acid SCHEMBL20164501 0.99 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
SCHEMBL20164389 0.89 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
SCHEMBL20164392 0.89 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
SCHEMBL20164663 0.89 CDK2 (0.42) CDK2CCNE1CDK1SLC29A1CDK9
Hydrochloric Acid SCHEMBL20164441 0.88 CDK2 (0.41) CDK2CCNE1CDK1SLC29A1CDK9
Hydrochloric Acid SCHEMBL20164438 0.88 CDK2 (0.41) CDK2CCNE1CDK1SLC29A1CDK9

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 4026/4885CCNE1 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.