SCHEMBL19473768

SCHEMBL19473768

COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)ncc1Br

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ HASPIN Q8TF76 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CFTR P13569 1/20 0.44

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
SCHEMBL19457858 0.92 KCNJ1 (0.48) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL19457902 0.86 HPGDS (0.42) ALDH1A1MEN1KMT2APOLB
SCHEMBL19473769 0.85 NSD2 (0.52) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL12445024 0.82 KMT2A (0.54) USP30ALDH1A1EPHX1MEN1KMT2A
SCHEMBL20944523 0.82 MEN1 (0.51) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL25151219 0.80 ALDH1A1 (0.47) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL30398752 0.80 ALDH1A1 (0.47) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL16984667 0.78 USP30 (0.57) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL19457710 0.78 USP30 (0.50) USP30L3MBTL1ALDH1A1EPHX1MEN1
SCHEMBL19457848 0.77 KCNJ1 (0.53) USP30L3MBTL1EPHX1NSD2

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
EP-3231802-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-05-05 — — EP disclosed
EP-3466945-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-04-10 — — EP disclosed
WO-2017211271-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR 江苏恒瑞医药股份有限公司 2017-12-14 — — WO disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — US disclosed
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-11-30 — — US disclosed
EP-3231802-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2017-10-18 — — EP 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 (1 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-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 USP30 3131/4885L3MBTL1 4876/4885ALDH1A1 3033/4885

“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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