SCHEMBL20090302

SCHEMBL20090302

O=C(Nc1cn([C@H]2CC[C@H](N3CCOCC3)CC2)nc1-c1cnccn1)c1coc(-c2cn[nH]c2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.46
IRAK1 P51617 2/20 0.44
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
PIK3CD O00329 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL20161141 1.00 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1APIK3CD
SCHEMBL30703608 1.00 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1APIK3CD
SCHEMBL20161344 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL30703606 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL20090317 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL20090304 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL29132893 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL30703612 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL20090309 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL20090337 0.90 IRAK4 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179601-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-06-17 US disclosed
US-10941140-B2 IRAK inhibitors and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20190300518-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING Rigal Pharmaceuticals, Inc. (US) 2019-10-03 US disclosed
US-10370367-B2 IRAK inhibitors and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-20180111923-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. 2018-04-26 US disclosed
US-20180111923-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. 2018-04-26 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 (5 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-10941140-B2 IRAK inhibitors and method for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885GSK3B 358/4885
US-20180111923-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885GSK3B 358/4885
US-20210179601-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885GSK3B 358/4885
US-20190300518-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885GSK3B 358/4885
US-10370367-B2 IRAK inhibitors and method for making and using IRAK1, IRAK2, IRAK3 IRAK4 4/4885IRAK1 1/4885GSK3B 358/4885

“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.