SCHEMBL19181763

SCHEMBL19181763

CN1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C#N)cc34)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 1.00
CCNC P24863 1/20 0.76
CDK8 P49336 1/20 0.76
CLK1 P49759 1/20 0.76
CLK2 P49760 1/20 0.76
CDK7 P50613 1/20 0.76
CDK9 P50750 1/20 0.76
IRAK1 P51617 1/20 0.76
CLK4 Q9HAZ1 1/20 0.76

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
SCHEMBL19181764 1.00 IRAK4 (1.00) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL23806373 0.92 IRAK4 (0.85) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL17661482 0.90 IRAK4 (1.00) IRAK4
SCHEMBL19180872 0.90 IRAK4 (1.00) IRAK4
SCHEMBL19179621 0.90 IRAK4 (1.00) IRAK4
SCHEMBL19179620 0.90 IRAK4 (1.00) IRAK4
SCHEMBL19180874 0.90 IRAK4 (1.00) IRAK4
SCHEMBL21026034 0.89 IRAK4 (0.98) IRAK4
SCHEMBL19179720 0.88 IRAK4 (0.84) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL19180811 0.88 IRAK4 (1.00) 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 10 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-9932350-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-04-03 US 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-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 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-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 IRAK4 1/4885CCNC 3977/4885CDK8 796/4885

“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.