Sugi Predict

Sugi Predict / Compounds / SCHEMBL4597442

SCHEMBL4597442

SCHEMBL4597442

CC(C)(C)OC(=O)NCC(N)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2B6 P20813 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 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
SCHEMBL10319148 1.00 CTSL (0.46) CTSLKDM4ERAB9AS1PR3IDO1
SCHEMBL4597840 1.00 CTSL (0.46) CTSLKDM4ERAB9AS1PR3IDO1
SCHEMBL10318528 0.88 KDM4E (0.45) CTSLKDM4ES1PR3IDO1CYP1A2
SCHEMBL10318527 0.88 KDM4E (0.45) CTSLKDM4ES1PR3IDO1CYP1A2
SCHEMBL16690744 0.87 RAB9A (0.54) RAB9A
SCHEMBL28076481 0.87 RAB9A (0.54) RAB9A
SCHEMBL16204368 0.86 CTSL (0.47) CTSLKDM4ERAB9AS1PR3IDO1
SCHEMBL4597974 0.86 CTSL (0.47) CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL21509870 0.86 POLB (0.41) SYKCTSSCTSKCYP2C19AAK1
SCHEMBL10319930 0.86 CTSL (0.47) CTSLCYP1A2CYP2C9CYP2C19

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466259-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 — — EP disclosed
US-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
WO-2023139084-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — WO disclosed
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 — — US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 — — US disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 — — EP disclosed
WO-2019201297-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 — — WO disclosed
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 — — CN disclosed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP disclosed
EP-2686319-B1 IMIDAZO PYRAZINES HOFFMANN LA ROCHE (CH) 2016-07-13 — — EP disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US disclosed
US-20120184508-A1 PYRAZOLO PYRIMIDINES BIODURO (BEIJING) COMPANY LTD. (CN) 2012-07-19 — — US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 — — US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 — — US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 — — US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US disclosed
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 — — CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — WO 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 (7 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-20120184508-A1 PYRAZOLO PYRIMIDINES TYMS, TYMP, TP53 CTSL 2436/4885KDM4E 2657/4885RAB9A 812/4885
US-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES SIK3, JAK1, SIK2 CTSL 4781/4885KDM4E 1963/4885RAB9A 2681/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA CTSL 979/4885KDM4E 1393/4885RAB9A 823/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT CTSL 4049/4885KDM4E 2018/4885RAB9A 295/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD CTSL 2417/4885KDM4E 2024/4885RAB9A 2086/4885
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 CTSL 2335/4885KDM4E 2930/4885RAB9A 559/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT CTSL 4049/4885KDM4E 2018/4885RAB9A 295/4885

“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.