SCHEMBL21678464

SCHEMBL21678464

O=C(O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C4CCCC4)c23)C1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.75
IRAK4 Q9NWZ3 2/20 0.55

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
SCHEMBL21678465 1.00 JAK3 (0.75) JAK3IRAK4
SCHEMBL21678697 0.89 JAK3 (0.94) JAK3
SCHEMBL21678695 0.89 JAK3 (0.94) JAK3
SCHEMBL20125385 0.88 JAK3 (0.78) JAK3IRAK4
SCHEMBL21678383 0.86 JAK3 (0.62) JAK3
SCHEMBL21704952 0.86 JAK3 (1.00) JAK3
SCHEMBL16765296 0.86 JAK3 (1.00) JAK3
SCHEMBL21701310 0.86 JAK3 (0.67) JAK3IRAK4
SCHEMBL21705140 0.86 JAK3 (0.67) JAK3IRAK4
SCHEMBL21678664 0.84 JAK3 (0.63) JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132505-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2024-04-25 US disclosed
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
CN-112823005-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-05-18 CN 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 (4 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 31/4885
US-20240132505-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK JAK3 1484/4885IRAK4 31/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK JAK3 1484/4885IRAK4 31/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK JAK3 1484/4885IRAK4 31/4885

“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.