SCHEMBL29388583

SCHEMBL29388583

CC=CC(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.60
▸ JAK2 O60674 8/20 0.60
▸ JAK1 P23458 6/20 0.60
▸ TYK2 P29597 2/20 0.54
▸ STAT6 P42226 3/20 0.51
▸ EGFR P00533 2/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ BLK P51451 1/20 0.51
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CCND2 P30279 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ TTK P33981 1/20 0.48
▸ BTK Q06187 4/20 0.46

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
SCHEMBL21846884 1.00 JAK3 (0.60) JAK3JAK2JAK1TYK2STAT6
SCHEMBL29387810 0.92 JAK3 (0.55) JAK3JAK2JAK1TYK2STAT6
SCHEMBL21846885 0.92 JAK3 (0.55) JAK3JAK2JAK1TYK2STAT6
SCHEMBL28364470 0.91 JAK3 (0.60) JAK3JAK2JAK1TYK2STAT6
SCHEMBL21846883 0.91 JAK3 (0.60) JAK3JAK2JAK1TYK2STAT6
SCHEMBL29387805 0.91 JAK3 (0.60) JAK3JAK2JAK1TYK2STAT6
SCHEMBL21846878 0.90 JAK3 (0.68) JAK3JAK2JAK1TYK2STAT6
SCHEMBL29387386 0.90 JAK3 (0.68) JAK3JAK2JAK1TYK2STAT6
SCHEMBL24249375 0.86 JAK3 (0.50) JAK3JAK2JAK1EGFRFLT3
SCHEMBL21847332 0.85 JAK3 (0.46) JAK3JAK2JAK1STAT6EGFR

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-11993603-B2 Preparation for 6-amino-1H-pyrazolo[3,4-d]pyrimidine-based JAK kinase inhibitor and application thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES & PEKING UNION MEDICAL COLLEGE (CN) 2024-05-28 — — US disclosed
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

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-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
US-11993603-B2 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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