SCHEMBL22097298

SCHEMBL22097298

Fc1ccc(C2=NCCC2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.50
CHRNA3 P32297 12/20 0.50
PARP1 P09874 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 2/20 0.40
PGR P06401 1/20 0.39
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL206365 0.86 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4967805 0.81 CHRNB4 (0.57) CHRNB4CHRNA3PARP1ALDH1A1CYP1A2
SCHEMBL2045328 0.74 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24414772 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL38652147 0.72 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4352639 0.72 PARP1 (0.42) PARP1CYP1A2CYP2C19
SCHEMBL2807123 0.71 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL433117 0.71 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL18985115 0.71 CHRNB4 (0.67) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.70 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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 9 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
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 claimed
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 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
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 3061/4885PARP1 538/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885PARP1 538/4885

“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.