SCHEMBL19457902

SCHEMBL19457902

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GPR183 P32249 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL19473768 0.86 USP30 (0.51) KMT2AMEN1ALDH1A1POLB
SCHEMBL20872894 0.83 KCNJ1 (0.53) HPGDSKMT2AKDM4EMEN1MAPT
SCHEMBL19457858 0.79 KCNJ1 (0.48) KMT2AMEN1KCNJ1KCNH2ALDH1A1
SCHEMBL20985104 0.74 KMT2A (0.42) KMT2AMEN1SMYD3
SCHEMBL20944530 0.73 KDM4E (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL20944532 0.73 KDM4E (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL16973743 0.73 PRKAA2 (0.46) SMYD3
SCHEMBL17310021 0.73 KDM4E (0.43) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL29085228 0.73 GPR6 (0.46) HPGDSNPC1RAB9APDCD1CD274
SCHEMBL29085224 0.73 GPR6 (0.46) HPGDSNPC1RAB9APDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059810-B2 Pharmaceutically acceptable salt as renal outer medullary potassium channel inhibitor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-07-13 — — US disclosed
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-01 — — US disclosed
US-20200123135-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-23 — — US disclosed
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-10-15 — — US disclosed
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-07-30 — — US disclosed
US-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US disclosed
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-23 — — US 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
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 (8 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-20190152958-A1 PHARMACEUTICAL USES OF PYRIDINE CARBOXAMIDE DERIVATIVES CASK, PDXK, NADK HPGDS 2125/4885KMT2A 1897/4885KDM4E 910/4885
US-20190152959-A1 PROCESSES FOR PREPARING PYRIDINE CARBOXAMIDE DERIVATIVES CPS1, PDXK, SDHA HPGDS 1416/4885KMT2A 1137/4885KDM4E 358/4885
US-10442794-B2 Processes for preparing pyridine carboxamide derivatives CPS1, PDXK, SDHA HPGDS 1416/4885KMT2A 1137/4885KDM4E 358/4885
US-20170342059-A1 PYRIDINECARBOXAMIDE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USES THEREOF KCNK2, KCNJ2, KCNK5 HPGDS 2605/4885KMT2A 1761/4885KDM4E 577/4885
US-10364234-B2 Pyridinecarboxamide derivatives, preparation method thereof and pharmaceutical uses thereof KCNK2, KCNJ2, KCNK5 HPGDS 2605/4885KMT2A 1761/4885KDM4E 577/4885
US-11059810-B2 Pharmaceutically acceptable salt as renal outer medullary potassium channel inhibitor KCNK10, CASK, KCNN2 HPGDS 4870/4885KMT2A 1177/4885KDM4E 1867/4885
US-20200123135-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR KCNK10, CASK, KCNN2 HPGDS 4870/4885KMT2A 1177/4885KDM4E 1867/4885
US-10759788-B2 Pharmaceutical uses of pyridine carboxamide derivatives CASK, PDXK, NADK HPGDS 2125/4885KMT2A 1897/4885KDM4E 910/4885

“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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