SCHEMBL17652195

SCHEMBL17652195

NC1CCC(Nc2ncnc3ccc(Br)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 1.00
USP2 O75604 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP3A4 P08684 5/20 0.53
CLK4 Q9HAZ1 5/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 4/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAP4K4 O95819 1/20 0.53
TSHR P16473 3/20 0.52
CD38 P28907 1/20 0.52

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
SCHEMBL19179779 1.00 IRAK4 (1.00) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL1585675 0.93 IRAK4 (0.86) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4353446 0.87 IRAK4 (0.77) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL21997741 0.86 IRAK4 (0.76) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL4357479 0.86 IRAK4 (0.75) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL19283370 0.85 IRAK4 (0.74) IRAK4
SCHEMBL19283368 0.85 IRAK4 (0.74) IRAK4
Hydrochloric Acid SCHEMBL19283354 0.84 IRAK4 (0.72) IRAK4
SCHEMBL29283852 0.83 IRAK4 (0.74) IRAK4USP2CYP1A2CYP3A4CLK4
SCHEMBL31006575 0.83 IRAK4 (0.74) IRAK4USP2CYP1A2CYP3A4CLK4

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 11 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
EP-3200788-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
US-9932350-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9926330-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-31 US disclosed
EP-3200788-A1 INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2017-08-09 EP disclosed
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
WO-2016053769-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-04-07 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 (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-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 IRAK4 1/4885USP2 1576/4885CYP1A2 4283/4885
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 IRAK4 1/4885USP2 1586/4885CYP1A2 4340/4885

“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.