SCHEMBL20164422

SCHEMBL20164422

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
IL1B P01584 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CDK1 P06493 1/20 0.31
KCNA5 P22460 1/20 0.30

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
SCHEMBL20164648 0.84 KMT2A (0.43) ESR1
SCHEMBL20164316 0.81 CCNE1 (0.31) ESR1CCNE1CDK2CDK7CCNH
SCHEMBL20164711 0.80 ADORA3 (0.41) ESR1CDK2
SCHEMBL20164670 0.79 ALDH1A1 (0.35) CCNE1CDK2CDK7CCNHCDK5
SCHEMBL20164582 0.79 ALDH1A1 (0.35) CCNE1CDK2CDK7CCNHCDK5
SCHEMBL20164579 0.79 ALDH1A1 (0.35) CCNE1CDK2CDK7CCNHCDK5
SCHEMBL20164718 0.78 CDK2 (0.37) ESR1CCNE1CDK2CDK7CCNH
SCHEMBL20164573 0.76 YTHDC1 (0.40) CCNE1CDK2CDK7CCNHCDK5
SCHEMBL20164710 0.75 CDK1 (0.30) CDK1
SCHEMBL20164652 0.74 SLC29A1 (0.44)

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 ESR1 4774/4885IL1B 1486/4885CCNE1 4167/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 ESR1 4739/4885IL1B 1579/4885CCNE1 4321/4885

“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.