SCHEMBL21846883

SCHEMBL21846883

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.60
▸ JAK2 O60674 6/20 0.60
▸ TYK2 P29597 3/20 0.60
▸ JAK1 P23458 7/20 0.56
▸ TTK P33981 1/20 0.56
▸ BTK Q06187 6/20 0.54
▸ EGFR P00533 2/20 0.54
▸ FLT3 P36888 1/20 0.53
▸ BLK P51451 1/20 0.53
▸ STAT6 P42226 2/20 0.51

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
SCHEMBL28364470 1.00 JAK3 (0.60) JAK3JAK2TYK2JAK1TTK
SCHEMBL29387805 1.00 JAK3 (0.60) JAK3JAK2TYK2JAK1TTK
SCHEMBL29387594 0.92 JAK3 (0.65) JAK3JAK2TYK2JAK1BTK
SCHEMBL21846882 0.92 JAK3 (0.65) JAK3JAK2TYK2JAK1BTK
SCHEMBL29388583 0.91 JAK3 (0.60) JAK3JAK2TYK2JAK1TTK
SCHEMBL21846884 0.91 JAK3 (0.60) JAK3JAK2TYK2JAK1TTK
SCHEMBL21846825 0.91 JAK3 (0.68) JAK3JAK2TYK2JAK1TTK
SCHEMBL29388306 0.91 JAK3 (0.68) JAK3JAK2TYK2JAK1TTK
SCHEMBL28364473 0.89 JAK3 (0.53) JAK3JAK2TYK2JAK1TTK
SCHEMBL21846872 0.88 JAK3 (0.61) JAK3JAK2TYK2JAK1BTK

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 2/4885JAK2 5/4885TYK2 14/4885

“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.

Send feedback