SCHEMBL20164511

SCHEMBL20164511

CC(C)(O)CNc1nc(Cl)nc2c(NCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
PDE5A O76074 1/20 0.52
APP P05067 1/20 0.52
ESR1 P03372 6/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CCNE2 O96020 2/20 0.42
CDK5 Q00535 1/20 0.41

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
SCHEMBL7939004 0.85 APP (0.68) CDK1PDE5AAPPESR1PDE4A
SCHEMBL20164489 0.83 ACHE (0.56) CDK1APPCCNE1CDK2CCNE2
Hydrochloric Acid SCHEMBL20164486 0.82 BCHE (0.54) CDK1APPCCNE1CDK2CCNE2
SCHEMBL20164718 0.81 CDK2 (0.37) CDK1PDE5AAPPESR1CCNE1
SCHEMBL20164596 0.79 APP (0.56) CDK1PDE5AAPPESR1PDE4A
SCHEMBL20164422 0.78 ESR1 (0.33) CDK1ESR1CCNE1CDK2CDK5
SCHEMBL7973136 0.76 CCNE2 (0.58) CDK1PDE5AAPPCCNE1CDK2
SCHEMBL20164648 0.76 KMT2A (0.43) ESR1PDE10A
SCHEMBL20164493 0.75 CDK1 (0.43) CDK1PDE5APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL20164490 0.74 CDK1 (0.42) CDK1PDE4APDE4BPDE4CPDE4D

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 CDK1 3077/4885PDE5A 10/4885APP 2716/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK1 3444/4885PDE5A 14/4885APP 2394/4885

“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.