SCHEMBL21846881

SCHEMBL21846881

C/C=C/C(=O)Nc1ccc(Cn2ncc3cnc(Nc4cnn(CCOC)c4)nc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.69
▸ JAK1 P23458 11/20 0.65
▸ JAK2 O60674 7/20 0.65
▸ TYK2 P29597 4/20 0.49
▸ MAP3K7 O43318 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ TTK P33981 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ MAP2K1 Q02750 1/20 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
SCHEMBL28364413 1.00 JAK3 (0.69) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL21846865 0.91 JAK3 (0.83) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL29388365 0.91 JAK3 (0.57) JAK3JAK1JAK2TYK2TTK
SCHEMBL21847334 0.91 JAK3 (0.57) JAK3JAK1JAK2TYK2TTK
SCHEMBL28364421 0.91 JAK3 (0.84) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL21847096 0.91 JAK3 (0.84) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL21847331 0.87 JAK3 (0.55) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL29387383 0.87 JAK3 (0.55) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL24249375 0.83 JAK3 (0.50) JAK3JAK1JAK2MAPK1FLT3
SCHEMBL21847332 0.82 JAK3 (0.46) JAK3JAK1JAK2MAPK1

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-20220048914-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2022-02-17 — — US disclosed
WO-2020052489-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF 中国药科大学 2020-03-19 — — 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-20220048914-A1 PREPARATION FOR 6-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDINE-BASED JAK KINASE INHIBITOR AND APPLICATION THEREOF JAK1, JAK3, SSB JAK3 2/4885JAK1 1/4885JAK2 5/4885

“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.

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