SCHEMBL21286732

SCHEMBL21286732

N#CC[C@H]1CC[C@H](Nc2c(N)cnc3ccoc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
JAK3 P52333 15/20 0.33
JAK2 O60674 14/20 0.33
JAK1 P23458 13/20 0.33
TYK2 P29597 12/20 0.33
DGAT1 O75907 1/20 0.32
MELK Q14680 2/20 0.31

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
SCHEMBL27153783 1.00 IRAK4 (0.37) IRAK4JAK3JAK2JAK1TYK2
SCHEMBL30822849 1.00 IRAK4 (0.37) IRAK4JAK3JAK2JAK1TYK2
SCHEMBL20051455 0.85 PIK3CD (0.33) IRAK4JAK1
SCHEMBL20051452 0.85 PIK3CD (0.33) IRAK4JAK1
SCHEMBL21286839 0.85 PIK3CD (0.33) IRAK4JAK1
SCHEMBL25806402 0.85 PIK3CD (0.33) IRAK4JAK1
SCHEMBL25806613 0.85 PIK3CD (0.33) IRAK4JAK1
SCHEMBL20051777 0.85 IRAK4 (0.39) IRAK4MELK
Hydrochloric Acid SCHEMBL25301238 0.84 PIK3CD (0.33) IRAK4JAK1
Hydrochloric Acid SCHEMBL31382910 0.84 PIK3CD (0.33) IRAK4JAK1

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
WO-2024041586-A1 PRODRUG OF JAK KINASE INHIBITOR 启元生物(杭州)有限公司 2024-02-29 WO disclosed
US-10738060-B2 JAK1 selective inhibitors and uses thereof TLL Pharmaceutical, LLC (US) 2020-08-11 US disclosed
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF HANGZHOU HIGHLIGHTII PHARMACEUTICAL CO., LTD (CN) 2019-08-22 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 (2 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-10738060-B2 JAK1 selective inhibitors and uses thereof JAK1, JAK3, JAK2 IRAK4 11/4885JAK3 2/4885JAK2 3/4885
US-20190256523-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 IRAK4 11/4885JAK3 2/4885JAK2 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.