SCHEMBL17259145

SCHEMBL17259145

Brc1ccc2ncnc(OC3CCC(N4CCOCC4)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 1.00
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17209401 1.00 IRAK4 (1.00) IRAK4USP2ALDH1A1
SCHEMBL19283359 0.87 IRAK4 (1.00) IRAK4
SCHEMBL17269253 0.87 IRAK4 (1.00) IRAK4
SCHEMBL17209445 0.84 IRAK4 (0.76) IRAK4
SCHEMBL17209443 0.84 IRAK4 (0.72) IRAK4
SCHEMBL17259111 0.84 IRAK4 (0.72) IRAK4
SCHEMBL17209352 0.84 IRAK4 (0.72) IRAK4
SCHEMBL17209432 0.84 IRAK4 (0.72) IRAK4
SCHEMBL17209496 0.84 IRAK4 (0.72) IRAK4
SCHEMBL17259114 0.84 IRAK4 (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200789-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-11-06 EP claimed
US-9932350-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-04-03 US claimed
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 US claimed
EP-3200789-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-9932350-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885USP2 857/4885ALDH1A1 3351/4885
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 IRAK4 1/4885USP2 1586/4885ALDH1A1 2798/4885

“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.