SCHEMBL206683

SCHEMBL206683

Fc1cc(C2CCCN2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 3/20 0.47
KCNH2 Q12809 2/20 0.47
KDM1B Q8NB78 1/20 0.47
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
PARP1 P09874 8/20 0.41
PARP2 Q9UGN5 3/20 0.41
RCOR1 Q9UKL0 1/20 0.39
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL30630188 0.87 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL22097299 0.87 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL3330878 0.84 L3MBTL1 (0.53) L3MBTL1KDM1ACHRNB2CHRNA7CHRNA4
SCHEMBL6179869 0.84 L3MBTL1 (0.53) L3MBTL1KDM1ACHRNB2CHRNA7CHRNA4
SCHEMBL30504206 0.84 L3MBTL1 (0.53) L3MBTL1KDM1ACHRNB2CHRNA7CHRNA4
SCHEMBL21225275 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4MKNK1
SCHEMBL29473762 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4MKNK1
SCHEMBL17529583 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL1765187 0.79 L3MBTL1 (0.47) L3MBTL1KDM1ACHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL17514146 0.79 L3MBTL1 (0.48) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1

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 15 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
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US 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 L3MBTL1 472/4885KDM1A 4163/4885KCNH2 1597/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 L3MBTL1 3345/4885KDM1A 532/4885KCNH2 4642/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR L3MBTL1 472/4885KDM1A 4163/4885KCNH2 1597/4885

“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.