SCHEMBL29441898

SCHEMBL29441898

C[C@@]1(O)CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.74
▸ LCK P06239 4/20 0.74
▸ LYN P07948 3/20 0.74
▸ NUDT14 O95848 2/20 0.67
▸ NUDT5 Q9UKK9 2/20 0.67
▸ SRC P12931 2/20 0.65
▸ KDR P35968 2/20 0.65
▸ TEK Q02763 1/20 0.65
▸ EGFR P00533 4/20 0.61
▸ ITK Q08881 3/20 0.61
▸ TEC P42680 3/20 0.60
▸ BMX P51813 3/20 0.60
▸ TXK P42681 2/20 0.60
▸ FGFR2 P21802 2/20 0.60
▸ FLT3 P36888 2/20 0.60
▸ RIPK2 O43353 1/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ SLC22A3 O75751 1/20 0.60
▸ LATS1 O95835 1/20 0.60
▸ ABL1 P00519 1/20 0.60

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
SCHEMBL22243309 1.00 BTK (0.74) BTKLCKLYNNUDT14NUDT5
SCHEMBL29441901 1.00 BTK (0.74) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243327 1.00 BTK (0.74) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243326 0.95 BTK (0.71) BTKLCKLYNNUDT14NUDT5
SCHEMBL24041260 0.89 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243246 0.89 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243245 0.89 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL29441895 0.89 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243253 0.88 BTK (0.72) BTKLCKLYNNUDT14NUDT5
SCHEMBL22230750 0.88 BTK (0.72) BTKLCKLYNNUDT14NUDT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2022-03-17 — — US claimed
US-12384786-B2 Cyclic molecules as Bruton's tyrosine kinase inhibitor MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2025-08-12 — — US disclosed
CN-111454268-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-09-08 — — CN disclosed
CN-116589465-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-08-15 — — CN disclosed
CN-113710671-B Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2023-04-28 — — CN disclosed
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2022-03-17 — — 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-12384786-B2 Cyclic molecules as Bruton's tyrosine kinase inhibitor ABL1, BTK, LYN BTK 2/4885LCK 7/4885LYN 3/4885
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR ABL1, BTK, LYN BTK 2/4885LCK 7/4885LYN 3/4885

“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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