SCHEMBL206365

SCHEMBL206365

Fc1cc(C2=NCCC2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.50
CHRNA3 P32297 12/20 0.50
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 2/20 0.40
KIF11 P52732 1/20 0.36
KDM1A O60341 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1B Q8NB78 1/20 0.34
POLB P06746 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4967805 0.95 CHRNB4 (0.57) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL22097298 0.86 CHRNB4 (0.50) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL2045328 0.77 CHRNB4 (0.57) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL24414772 0.74 CHRNB4 (0.55) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL2299673 0.72 KIF11 (0.55) CYP1A2KIF11KDM1AKCNH2KDM1B
SCHEMBL16098695 0.72 CHRNB4 (0.66) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL433117 0.71 CHRNB4 (0.90) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL2807123 0.71 CHRNB4 (0.90) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL18985115 0.71 CHRNB4 (0.67) CHRNB4CHRNA3CYP1A2ALDH1A1THRB
SCHEMBL12021901 0.71 CHRNB4 (0.53) CHRNB4CHRNA3CYP1A2ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US 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 (3 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 3061/4885CYP1A2 2871/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 CHRNB4 4583/4885CHRNA3 3682/4885CYP1A2 577/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885CYP1A2 2871/4885

“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.