SCHEMBL22097362

SCHEMBL22097362

Brc1ccc(Br)c(C2=NCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 10/20 0.49
▸ CHRNA3 P32297 10/20 0.49
▸ S100A4 P26447 1/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ PTPRC P08575 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL30028509 0.82 CHRNB4 (0.46) CHRNB4CHRNA3S100A4HDAC8ALDH1A1
SCHEMBL2360101 0.82 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8ALDH1A1CYP1A2
SCHEMBL30029405 0.82 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL38652147 0.82 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL22300218 0.79 CHRNB4 (0.50) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL13740749 0.79 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL2323955 0.77 CHRNB4 (0.47) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL2045328 0.72 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL25282712 0.72 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL1344342 0.71 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8ALDH1A1CYP1A2

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
CN-109608464-B Radioiodine-labeled Larotrectinib compound and preparation method and application thereof 上海健康医学院 2021-09-24 — — CN claimed
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof SHANGHAI UNIVERSITY OF MEDICINE & HEALTH SCIENCES (CN) 2024-12-10 — — US disclosed
US-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI UNIVERSITY OF MEDICINE&HEALTH SCIENCES (CN) 2022-03-10 — — US disclosed
CN-109608464-B Radioiodine-labeled Larotrectinib compound and preparation method and application thereof 上海健康医学院 2021-09-24 — — CN disclosed
WO-2020119206-A1 RADIOACTIVE IODINE-LABELLED LAROTRECTINIB COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海健康医学院 2020-06-18 — — WO disclosed
CN-109608464-A A kind of radioiodination Larotrectinib compound and its preparation method and application 上海健康医学院 2019-04-12 — — CN 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-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885S100A4 4519/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885S100A4 4519/4885

“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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