SCHEMBL21846825

SCHEMBL21846825

C=CC(=O)Nc1cccc(Cn2ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.68
▸ JAK2 O60674 4/20 0.68
▸ JAK1 P23458 4/20 0.68
▸ TTK P33981 1/20 0.68
▸ EGFR P00533 5/20 0.65
▸ FLT3 P36888 2/20 0.65
▸ BLK P51451 2/20 0.65
▸ BTK Q06187 6/20 0.64
▸ TYK2 P29597 2/20 0.63

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
SCHEMBL29388306 1.00 JAK3 (0.68) JAK3JAK2JAK1TTKEGFR
SCHEMBL29388091 0.91 JAK3 (0.78) JAK3JAK2JAK1EGFRFLT3
SCHEMBL21846862 0.91 JAK3 (0.78) JAK3JAK2JAK1EGFRFLT3
SCHEMBL29387386 0.91 JAK3 (0.68) JAK3JAK2JAK1TTKEGFR
SCHEMBL21846878 0.91 JAK3 (0.68) JAK3JAK2JAK1TTKEGFR
SCHEMBL21846883 0.91 JAK3 (0.60) JAK3JAK2JAK1TTKEGFR
SCHEMBL28364470 0.91 JAK3 (0.60) JAK3JAK2JAK1TTKEGFR
SCHEMBL29387805 0.91 JAK3 (0.60) JAK3JAK2JAK1TTKEGFR
SCHEMBL28368160 0.89 JAK3 (0.58) JAK3JAK2JAK1TTKEGFR
SCHEMBL21846822 0.87 JAK3 (0.72) JAK3JAK2JAK1EGFRFLT3

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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