SCHEMBL21242584

SCHEMBL21242584

CC(C)(C)OC(=O)NC1CC=C(c2cccc3nc(NC(=O)C4CC4)nn23)CC1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.78
JAK2 O60674 16/20 0.78
TYK2 P29597 13/20 0.78
JAK3 P52333 10/20 0.69
IKBKB O14920 1/20 0.52
RIPK2 O43353 1/20 0.52
LCK P06239 1/20 0.52
SYK P43405 1/20 0.52
GSK3B P49841 1/20 0.52
PTK2B Q14289 1/20 0.52

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
SCHEMBL21242545 0.88 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242562 0.82 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242558 0.82 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242544 0.82 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242547 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242561 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242560 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242831 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242559 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21242549 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070754-A1 JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-03-11 US disclosed
WO-2019149244-A1 JAK INHIBITOR AND USE THEREOF 南京明德新药研发股份有限公司 2019-08-08 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 (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-20210070754-A1 JAK INHIBITOR AND USE THEREOF JAK1, JAK2, TYK2 JAK1 1/4885JAK2 2/4885TYK2 3/4885

“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.