SCHEMBL25228606

SCHEMBL25228606

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PDE9A O76083 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ CFTR P13569 3/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL30449840 1.00 KMT2A (0.40) KMT2AMEN1PDE9ATSHRL3MBTL1
SCHEMBL22902838 0.94 CYP1A2 (0.38) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL30449270 0.86 EGFR (0.48) BTK
SCHEMBL25284154 0.85 EGFR (0.46) BTK
SCHEMBL31125791 0.84 BTK (0.41) KMT2APDE9ATSHRBTKMAPT
SCHEMBL25649309 0.84 BTK (0.41) KMT2APDE9ATSHRBTKMAPT
SCHEMBL21903703 0.84 CYP1A2 (0.38) KMT2AMEN1PDE9ATSHRCYP1A2
SCHEMBL22902474 0.83 CYP1A2 (0.40) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL24651144 0.82 NPC1 (0.43) KMT2AMEN1PDE9ATSHRCYP1A2
SCHEMBL25277694 0.82 EGFR (0.51) BTK

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 5 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
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 — — CN disclosed
WO-2023110970-A1 MACROCYCLIC BTK 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
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 KMT2A 1310/4885MEN1 2453/4885PDE9A 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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