SCHEMBL21297450

SCHEMBL21297450

CSN1CCNC(C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
CACNA1H O95180 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
SCHEMBL2912108 0.71 CRBN (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL3219393 0.70 KDM4E (0.37) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23970500 0.69
SCHEMBL18096285 0.67 CACNA1H (0.33) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18650805 0.67 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3069788 0.64 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHIF1A
SCHEMBL3546635 0.63 CACNA1H (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3553474 0.62 KMT2A (0.47) KDM4EALDH1A1CACNA1H
SCHEMBL24700453 0.62 DDB1 (0.47) KDM4E
SCHEMBL15657996 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 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 (1 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-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 PDE4A 1421/4885PDE4B 1535/4885PDE4C 1928/4885

“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.