SCHEMBL25649309

SCHEMBL25649309

COc1ccc(CNc2nccc3c2c(I)nn3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ PDE9A O76083 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ STS P08842 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ABL2 P42684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL31125791 1.00 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL21903703 0.93 CYP1A2 (0.38) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL20645567 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL15913949 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL15913950 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL31684304 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL31684324 0.92 BTK (0.41) BTKEPHX2PDE9AKMT2AMAPT
SCHEMBL25230106 0.91 KMT2A (0.42) BTKPDE9AKMT2AMAPTDPP7
SCHEMBL30497632 0.91 KMT2A (0.42) BTKPDE9AKMT2AMAPTDPP7
SCHEMBL30813541 0.89 BTK (0.46) BTKPDE9ASRCABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 — — US disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — 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-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK BTK 1/4885EPHX2 3025/4885PDE9A 1324/4885

“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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