SCHEMBL20164718

SCHEMBL20164718

CC(C)(O)CNc1nc(Cl)nc2c(NCc3ncccn3)nc(Cl)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.37
CCNE1 P24864 8/20 0.37
CDK5 Q00535 4/20 0.37
CDK1 P06493 3/20 0.36
ESR1 P03372 1/20 0.36
PIM1 P11309 3/20 0.35
GSK3B P49841 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CDK5R1 Q15078 3/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CCNE2 O96020 2/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL20164411 0.83 CCNE1 (0.43) CDK2CCNE1CDK5CDK1CLK4
Hydrochloric Acid SCHEMBL20164706 0.82 CCNE1 (0.42) CDK2CCNE1CDK5CDK1CLK4
SCHEMBL20164511 0.81 CDK1 (0.53) CDK2CCNE1CDK5CDK1ESR1
SCHEMBL20164422 0.78 ESR1 (0.33) CDK2CCNE1CDK5CDK1ESR1
SCHEMBL20164418 0.76 KCNH2 (0.34) CDK2CCNE1CDK5CDK5R1CDK7
SCHEMBL20164341 0.76 CCNE1 (0.44) CDK2CCNE1CDK5CDK1CLK4
SCHEMBL20164648 0.76 KMT2A (0.43) ESR1
Hydrochloric Acid SCHEMBL20164708 0.75 KCNH2 (0.34) CDK2CCNE1CDK5CDK5R1CDK7
Hydrochloric Acid SCHEMBL20164538 0.75 CCNE1 (0.43) CDK2CCNE1CDK5CDK1CLK4
SCHEMBL20164500 0.73 YTHDC1 (0.40) CLK4KCNH3

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 4167/4885CDK5 1392/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885CCNE1 4321/4885CDK5 1768/4885

“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.