SCHEMBL21701305

SCHEMBL21701305

CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C(=O)[C@@H]4CCOC4)c23)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.57
IRAK4 Q9NWZ3 1/20 0.51
BTK Q06187 3/20 0.49

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
SCHEMBL21678574 0.92 JAK3 (0.57) JAK3BTK
SCHEMBL21678484 0.90 JAK3 (0.72) JAK3BTK
SCHEMBL21678489 0.90 JAK3 (0.72) JAK3BTK
SCHEMBL21678713 0.90 JAK3 (0.72) JAK3BTK
SCHEMBL21678398 0.90 JAK3 (0.72) JAK3BTK
SCHEMBL21701274 0.88 BTK (0.61) JAK3BTK
SCHEMBL21704947 0.88 BTK (0.61) JAK3BTK
SCHEMBL21704948 0.87 JAK3 (0.53) JAK3BTK
SCHEMBL21678673 0.81 JAK3 (0.64) JAK3BTK
SCHEMBL21701312 0.81 BTK (0.56) JAK3IRAK4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 US disclosed
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 (3 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 JAK3 1484/4885IRAK4 31/4885BTK 558/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK JAK3 1484/4885IRAK4 31/4885BTK 558/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK JAK3 1484/4885IRAK4 31/4885BTK 558/4885

“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.