SCHEMBL21701353

SCHEMBL21701353

CC(C)[C@@H]1CC[C@H](Nc2ncnc3[nH]cc([C@@H]4CC4(F)F)c23)CN1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.46
IRAK1 P51617 2/20 0.40
IRAK3 Q9Y616 2/20 0.40
IRAK2 O43187 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
BTK Q06187 1/20 0.38

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
SCHEMBL21705185 0.86 IRAK4 (0.48) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL23425374 0.86 IRAK4 (0.48) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL21678751 0.86 IRAK4 (0.48) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL21701354 0.84 IRAK4 (0.46) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL23425377 0.79 IRAK4 (0.47) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL23425376 0.79 IRAK4 (0.47) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL21704953 0.79 IRAK4 (0.45) IRAK4IRAK1IRAK3IRAK2CLK1
Hydrochloric Acid SCHEMBL21678510 0.78 IRAK4 (0.44) IRAK4IRAK1IRAK3IRAK2CLK1
Hydrochloric Acid SCHEMBL21678507 0.78 IRAK4 (0.44) IRAK4IRAK1IRAK3IRAK2CLK1
SCHEMBL23425384 0.76 IRAK4 (0.47) IRAK4IRAK1IRAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 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-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK IRAK4 31/4885IRAK1 26/4885IRAK3 52/4885

“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.