SCHEMBL29387364

SCHEMBL29387364

C=CC(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(F)cc4)nc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.55
▸ EGFR P00533 11/20 0.52
▸ ITK Q08881 3/20 0.52
▸ FLT3 P36888 2/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ BLK P51451 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ FGFR1 P11362 1/20 0.45

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
SCHEMBL21846879 1.00 JAK3 (0.55) JAK3EGFRITKFLT3TGM2
SCHEMBL21846877 0.91 JAK3 (0.60) JAK3EGFRITKFLT3BLK
SCHEMBL21846824 0.90 JAK3 (0.68) JAK3EGFRITKFLT3BLK
SCHEMBL29388136 0.90 JAK3 (0.68) JAK3EGFRITKFLT3BLK
SCHEMBL29385046 0.89 JAK3 (0.46) JAK3EGFRITKBTKHDAC3
SCHEMBL21847332 0.89 JAK3 (0.46) JAK3EGFRITKBTKHDAC3
SCHEMBL21847367 0.86 JAK3 (0.66) JAK3JAK2
SCHEMBL29385265 0.86 JAK3 (0.66) JAK3JAK2
SCHEMBL21846878 0.85 JAK3 (0.68) JAK3EGFRFLT3BLKBTK
SCHEMBL29387386 0.85 JAK3 (0.68) JAK3EGFRFLT3BLKBTK

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 2/4885EGFR 2648/4885ITK 255/4885
US-11993603-B2 Preparation for 6-amino-1H-pyrazolo[3,4-d]pyrimidine-based JAK kinase inhibitor and application thereof JAK1, JAK3, SSB JAK3 2/4885EGFR 2648/4885ITK 255/4885

“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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