SCHEMBL25230898

SCHEMBL25230898

COc1ccc(CNc2nccc3c2c(I)nn3CC[C@@H](C)NC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.44
▸ CYP1A2 P05177 8/20 0.37
▸ CYP3A4 P08684 8/20 0.37
▸ CYP2C19 P33261 8/20 0.37
▸ TSHR P16473 5/20 0.37
▸ USP2 O75604 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ CYP2D6 P10635 6/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35

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
SCHEMBL30449368 1.00 ABCB1 (0.44) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25271223 1.00 ABCB1 (0.44) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25275328 0.90 MAPT (0.40) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL25275327 0.90 MAPT (0.40) CYP1A2CYP3A4CYP2C19TSHRUSP2
SCHEMBL30449258 0.85 ABCB1 (0.37) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25271086 0.83 ABCB1 (0.36) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25271087 0.83 ABCB1 (0.36) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25272867 0.80 ABCB1 (0.39) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL25272866 0.80 ABCB1 (0.39) ABCB1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL30449742 0.80 ABCB1 (0.39) ABCB1CYP1A2CYP3A4CYP2C19TSHR

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 ABCB1 1077/4885CYP1A2 4302/4885CYP3A4 3750/4885

“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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