SCHEMBL20206260

SCHEMBL20206260

C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 7/20 0.57
MAP3K19 Q56UN5 1/20 0.54
IRAK4 Q9NWZ3 2/20 0.47
RHOA P61586 6/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK14 O94921 4/20 0.43
CCNY Q8ND76 4/20 0.43
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL27084621 0.92 IRAK1 (0.48) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL23860733 0.92 IRAK1 (0.48) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL30165298 0.92 IRAK1 (0.48) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL23860729 0.92 IRAK1 (0.48) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL30279687 0.92 IRAK1 (0.48) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL23860752 0.90 IRAK1 (0.50) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL23860712 0.90 IRAK1 (0.50) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL30165302 0.90 IRAK1 (0.50) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL30165321 0.90 IRAK1 (0.50) IRAK1MAP3K19IRAK4RHOAKDM4E
SCHEMBL27084644 0.90 IRAK1 (0.50) IRAK1MAP3K19IRAK4RHOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 US disclosed
WO-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO 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-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885

“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.