SCHEMBL16899712

SCHEMBL16899712

Cn1cc(-c2cccc(-c3ncc(-c4cnn(CCNC(=O)OC(C)(C)C)c4)cn3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 15/20 0.54
▸ IRAK4 Q9NWZ3 9/20 0.49
▸ GSK3B P49841 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ RET P07949 1/20 0.45

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
SCHEMBL15416350 0.88 IRAK1 (0.47) IRAK1IRAK4GSK3BDYRK1ARET
SCHEMBL16899747 0.83 IRAK1 (0.50) IRAK1IRAK4
SCHEMBL21086464 0.82 IRAK1 (0.48) IRAK1IRAK4
SCHEMBL20262248 0.80 IRAK1 (0.46) IRAK1IRAK4
SCHEMBL21583916 0.79 GSK3B (0.51) IRAK1IRAK4GSK3BDYRK1ARET
SCHEMBL15416264 0.79 IRAK1 (0.58) IRAK1IRAK4GSK3BDYRK1ARET
SCHEMBL15416393 0.78 IRAK1 (0.56) IRAK1IRAK4
SCHEMBL16713483 0.78 IRAK1 (0.63) IRAK1IRAK4
SCHEMBL15431347 0.78 IRAK1 (0.56) IRAK1IRAK4GSK3BDYRK1ARET
SCHEMBL15416036 0.78 IRAK4 (0.51) IRAK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 — — EP disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — WO disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — 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-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 IRAK1 3/4885IRAK4 4/4885GSK3B 802/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 IRAK1 3/4885IRAK4 4/4885GSK3B 548/4885

“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