SCHEMBL22097299

SCHEMBL22097299

Fc1ccc(C2CCCN2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
ABCC9 O60706 8/20 0.41
ABCC8 Q09428 8/20 0.41
KCNJ11 Q14654 8/20 0.41
KCNJ8 Q15842 8/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
PARP1 P09874 4/20 0.39
PARP2 Q9UGN5 2/20 0.39
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 1.00 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4ABCC9
SCHEMBL206683 0.87 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL6179869 0.84 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL30504206 0.84 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL3330878 0.84 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL24746228 0.83 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL166889 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL21225275 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL6177583 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PARP1
SCHEMBL29473762 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4MEN1

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 16 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
EP-4291235-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-12-20 EP disclosed
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO 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 (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 472/4885CHRNB2 2435/4885CHRNA7 3185/4885
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 L3MBTL1 1271/4885CHRNB2 3697/4885CHRNA7 4192/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR L3MBTL1 472/4885CHRNB2 2435/4885CHRNA7 3185/4885

“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.