SCHEMBL22230581

SCHEMBL22230581

COc1cccc(Oc2ccc(-c3nn([C@@H]4CCC[C@@H](O)C4)c4ncnc(N)c34)cc2)c1F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.62
▸ BTK Q06187 12/20 0.62
▸ LCK P06239 2/20 0.57
▸ LYN P07948 1/20 0.57
▸ PIK3CD O00329 6/20 0.56
▸ ABL1 P00519 6/20 0.56
▸ HCK P08631 6/20 0.56
▸ SRC P12931 6/20 0.56
▸ KDR P35968 6/20 0.56
▸ PIK3CA P42336 6/20 0.56
▸ PIK3CB P42338 6/20 0.56
▸ MTOR P42345 6/20 0.56
▸ PIK3CG P48736 6/20 0.56
▸ EPHB4 P54760 6/20 0.56
▸ PRKDC P78527 6/20 0.56
▸ PI4KB Q9UBF8 6/20 0.56
▸ NUDT14 O95848 1/20 0.52
▸ NUDT5 Q9UKK9 1/20 0.52
▸ ITK Q08881 1/20 0.51

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
SCHEMBL22230754 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL28749514 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL22243278 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL30381480 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL22243272 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL22230567 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL22230752 1.00 EGFR (0.62) EGFRBTKLCKLYNPIK3CD
SCHEMBL22230469 0.95 EGFR (0.61) EGFRBTKLCKLYNPIK3CD
SCHEMBL22230465 0.95 EGFR (0.61) EGFRBTKLCKLYNPIK3CD
SCHEMBL28749523 0.95 EGFR (0.61) EGFRBTKLCKLYNPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384786-B2 Cyclic molecules as Bruton's tyrosine kinase inhibitor MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2025-08-12 — — US disclosed
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR MINGHUI PHARMACEUTICAL SHANGHAI LTD (CN) 2022-03-17 — — US disclosed
CN-113710671-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2021-11-26 — — CN disclosed
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 — — EP disclosed
CN-111454268-A Cyclic molecules as inhibitors of bruton's tyrosine kinase 明慧医药(上海)有限公司 2020-07-28 — — CN disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 — — WO disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 — — 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 (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 EGFR 418/4885BTK 2/4885LCK 7/4885
US-20220081445-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR ABL1, BTK, LYN EGFR 418/4885BTK 2/4885LCK 7/4885

“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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