SCHEMBL17776796

SCHEMBL17776796

Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCNCC4)n3)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 15/20 1.00
▸ IRAK1 P51617 12/20 0.74

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
SCHEMBL17776874 0.85 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776857 0.85 IRAK1 (1.00) IRAK4IRAK1
SCHEMBL17776832 0.84 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776858 0.82 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776875 0.81 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776849 0.81 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776891 0.81 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL17776851 0.79 IRAK1 (1.00) IRAK4IRAK1
SCHEMBL17776887 0.79 IRAK1 (1.00) IRAK4IRAK1
SCHEMBL17776895 0.79 IRAK4 (1.00) IRAK4IRAK1

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
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 — — US disclosed
US-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-07-24 — — US disclosed
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-01-04 — — US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 — — US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 — — US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 — — US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 — — 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-10030013-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885
US-20180002327-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885

“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.

Send feedback