SCHEMBL21846885

SCHEMBL21846885

C/C=C/C(=O)Nc1ccc(Cn2ncc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.55
▸ JAK1 P23458 4/20 0.55
▸ EGFR P00533 3/20 0.52
▸ FLT3 P36888 2/20 0.52
▸ BLK P51451 1/20 0.52
▸ JAK2 O60674 2/20 0.52
▸ BTK Q06187 2/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ MAP3K7 O43318 5/20 0.50
▸ FGFR1 P11362 3/20 0.49
▸ MAP2K1 Q02750 3/20 0.49
▸ SRC P12931 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CCND2 P30279 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ FGFR2 P21802 1/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ FGFR3 P22607 1/20 0.48

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
SCHEMBL29387810 1.00 JAK3 (0.55) JAK3JAK1EGFRFLT3BLK
SCHEMBL29388583 0.92 JAK3 (0.60) JAK3JAK1EGFRFLT3BLK
SCHEMBL21846884 0.92 JAK3 (0.60) JAK3JAK1EGFRFLT3BLK
SCHEMBL21846882 0.91 JAK3 (0.65) JAK3JAK1EGFRFLT3JAK2
SCHEMBL29387594 0.91 JAK3 (0.65) JAK3JAK1EGFRFLT3JAK2
SCHEMBL21846880 0.91 JAK3 (0.64) JAK3JAK1EGFRFLT3BLK
SCHEMBL29387506 0.91 JAK3 (0.64) JAK3JAK1EGFRFLT3BLK
SCHEMBL24249375 0.86 JAK3 (0.50) JAK3JAK1EGFRFLT3BLK
SCHEMBL21847331 0.85 JAK3 (0.55) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL29387383 0.85 JAK3 (0.55) JAK3JAK1JAK2TYK2MAP3K7

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 2/4885JAK1 1/4885EGFR 2648/4885

“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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