SCHEMBL31626228

SCHEMBL31626228

CC(C)(C)OC(=O)N1CC(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.47
▸ JAK3 P52333 1/20 0.43
▸ JAK1 P23458 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ STS P08842 1/20 0.38
▸ PTPRB P23467 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL14798056 1.00 BTK (0.47) BTKJAK3JAK1JAK2USP30
SCHEMBL15143899 0.93 BTK (0.57) BTKJAK1JAK2USP30GPR119
SCHEMBL15710701 0.93 BTK (0.57) BTKJAK1JAK2USP30GPR119
SCHEMBL16320727 0.91 BTK (0.51) BTKJAK3JAK1JAK2USP30
SCHEMBL16320728 0.91 BTK (0.51) BTKJAK3JAK1JAK2USP30
SCHEMBL20480898 0.89 BTK (0.42) BTKJAK3JAK1JAK2ACHE
SCHEMBL14797914 0.86 GPR119 (0.44) BTKJAK3JAK1JAK2USP30
SCHEMBL30760937 0.85 JAK2 (0.45) BTKJAK3JAK1JAK2USP30
SCHEMBL30760877 0.85 JAK2 (0.45) BTKJAK3JAK1JAK2USP30
SCHEMBL30760904 0.85 JAK2 (0.45) BTKJAK3JAK1JAK2USP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197401-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-19 — — 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 (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-20250197401-A1 PURINONE DERIVATIVE BTK, KIT, SYK BTK 1/4885JAK3 78/4885JAK1 35/4885

“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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