Sugi Predict

Sugi Predict / Compounds / SCHEMBL376258

SCHEMBL376258

SCHEMBL376258

Cc1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.56
▸ MAPKAPK2 P49137 5/20 0.50
▸ DGAT1 O75907 2/20 0.49
▸ CYP17A1 P05093 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ SORT1 Q99523 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL30208803 1.00 NAMPT (0.56) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL29700895 0.85 NAMPT (0.46) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL24608331 0.85 NAMPT (0.46) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL29750520 0.85 NAMPT (0.46) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL18653616 0.84 AURKB (0.47) NAMPTMAPKAPK2DGAT1NPSR1KCNQ3
SCHEMBL22770010 0.84 GAA (0.46) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL31378805 0.84 KCNQ3 (0.53) NAMPTMAPKAPK2CYP17A1KCNQ3KCNQ2
SCHEMBL6609814 0.84 NAMPT (0.52) NAMPTMAPKAPK2CYP17A1CA12CA1
SCHEMBL535403 0.84 KCNQ3 (0.53) NAMPTMAPKAPK2CYP17A1KCNQ3KCNQ2
SCHEMBL31129251 0.83 NPSR1 (0.56) NPSR1KCNQ3KCNQ2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121413-B Preparation method of key intermediate of JAK3 enzyme inhibitor 江苏艾立康医药科技有限公司 2024-04-09 — — CN disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
US-20210387989-A1 PYRROLO[2,3-D]PYRIMIDINE TOSYLATE SALT, CRYSTALLINE FORM THEREOF AND MANUFACTURING PROCESS AND INTERMEDIATES THERETO PFIZER INC. (US) 2021-12-16 — — US disclosed
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2021-09-07 — — US disclosed
CN-113121413-A Preparation method of JAK3 enzyme inhibitor key intermediate 江苏艾立康医药科技有限公司 2021-07-16 — — CN disclosed
WO-2021136482-A1 METHOD FOR PREPARING PF06651600 AND INTERMEDIATE USED THEREIN 江苏艾立康医药科技有限公司 2021-07-08 — — WO disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 — — US disclosed
CN-100436445-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2008-11-26 — — CN disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 — — US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 — — CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 — — EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 — — CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 — — US disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 — — CN disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 — — 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 (9 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 NAMPT 2086/4885MAPKAPK2 1396/4885DGAT1 2499/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 NAMPT 2768/4885MAPKAPK2 672/4885DGAT1 3106/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK NAMPT 2125/4885MAPKAPK2 357/4885DGAT1 2662/4885
US-20210387989-A1 PYRROLO[2,3-D]PYRIMIDINE TOSYLATE SALT, CRYSTALLINE FORM THEREOF AND MANUFACTURING PROCESS AND INTERMEDIATES THERETO DCTPP1, TYMP, TPMT NAMPT 395/4885MAPKAPK2 1637/4885DGAT1 3618/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 NAMPT 791/4885MAPKAPK2 890/4885DGAT1 1853/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 NAMPT 2905/4885MAPKAPK2 1433/4885DGAT1 1329/4885
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides JAK2, JAK3, JAK1 NAMPT 1967/4885MAPKAPK2 246/4885DGAT1 3269/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS NAMPT 1790/4885MAPKAPK2 2278/4885DGAT1 2558/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS NAMPT 1790/4885MAPKAPK2 2278/4885DGAT1 2558/4885

“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.