SCHEMBL21025929

SCHEMBL21025929

CCS(=O)(=O)N1CCN(C2CCC(Oc3ncnc4ccc(C#N)cc34)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.60
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
CLK1 P49759 1/20 0.52
CLK2 P49760 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
IRAK1 P51617 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
SCHEMBL29314011 0.95 IRAK4 (0.56) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL21026037 0.92 IRAK4 (0.68) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL29313995 0.86 IRAK4 (0.66) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL21026294 0.84 IRAK4 (0.62) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL21026289 0.83 IRAK4 (0.56) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL17259166 0.82 IRAK4 (0.72) IRAK4
SCHEMBL17209352 0.82 IRAK4 (0.72) IRAK4
SCHEMBL21025672 0.82 IRAK4 (0.86) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL29314007 0.78 IRAK4 (0.80) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL26731667 0.78 IRAK4 (0.47) IRAK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (3 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 IRAK4 2/4885CCNC 3076/4885CDK8 1100/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 IRAK4 2/4885CCNC 2937/4885CDK8 1174/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 IRAK4 2/4885CCNC 3076/4885CDK8 1100/4885

“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.