SCHEMBL21846823

SCHEMBL21846823

C=CC(=O)Nc1cccc(Cn2ncc3cnc(Nc4cnn(CCO)c4)nc32)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.83
▸ JAK2 O60674 6/20 0.67
▸ JAK1 P23458 5/20 0.67
▸ TYK2 P29597 3/20 0.67
▸ TTK P33981 3/20 0.67
▸ AURKA O14965 1/20 0.56
▸ EGFR P00533 1/20 0.53

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
SCHEMBL29385275 1.00 JAK3 (0.83) JAK3JAK2JAK1TYK2TTK
SCHEMBL21847311 0.91 JAK3 (1.00) JAK3JAK2JAK1TYK2TTK
SCHEMBL21846871 0.90 JAK3 (0.71) JAK3JAK2JAK1TYK2TTK
SCHEMBL28364432 0.90 JAK3 (0.71) JAK3JAK2JAK1TYK2TTK
SCHEMBL29387512 0.90 JAK3 (0.71) JAK3JAK2JAK1TYK2TTK
SCHEMBL21847361 0.90 JAK3 (0.67) JAK3JAK2JAK1TYK2TTK
SCHEMBL29384938 0.90 JAK3 (0.67) JAK3JAK2JAK1TYK2TTK
SCHEMBL14812608 0.89 JAK3 (0.78) JAK3JAK2JAK1TYK2TTK
SCHEMBL21846822 0.87 JAK3 (0.72) JAK3JAK2JAK1TYK2EGFR
SCHEMBL21846824 0.84 JAK3 (0.68) JAK3JAK2JAK1TYK2EGFR

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
CN-110885331-A Preparation and application of novel 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor 中国药科大学 2020-03-17 — — CN claimed
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
CN-110885331-B Preparation and application of 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor 中国药科大学 2021-07-09 — — CN 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
CN-110885331-A Preparation and application of novel 6-amino-1H-pyrazolo [3, 4-d ] pyrimidine JAK kinase inhibitor 中国药科大学 2020-03-17 — — CN 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 2/4885JAK2 5/4885JAK1 1/4885

“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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