SCHEMBL3937797

SCHEMBL3937797

COC(=O)C(C)c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
GSK3B P49841 1/20 0.46
KCNA5 P22460 2/20 0.45
CNR1 P21554 5/20 0.45
CNR2 P34972 4/20 0.45
GPR139 Q6DWJ6 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
ADRA1D P25100 3/20 0.43
ADRA2B P18089 1/20 0.43
ADRA1A P35348 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
SCHEMBL28319350 0.86 GSK3B (0.45) PTGS1PTGS2GSK3BKCNA5CNR1
SCHEMBL17077541 0.85 PDCD1 (0.50) GSK3BCNR1CNR2GPR139PSEN1
SCHEMBL1565662 0.84 GRM4 (0.45) GSK3BKCNA5CNR1CNR2GPR139
SCHEMBL20560710 0.84 PTGS1 (0.56) PTGS1PTGS2MT-CO2KMT2A
SCHEMBL1565661 0.84 GRM4 (0.45) GSK3BKCNA5CNR1CNR2GPR139
SCHEMBL14660829 0.83 GSK3B (0.42) GSK3BKCNA5CNR1CNR2GPR139
SCHEMBL7116483 0.83 GSK3B (0.49) GSK3BKCNA5CNR1CNR2GPR139
SCHEMBL6933729 0.82 MGLL (0.43) GSK3BKCNA5CNR1ADRA1DADRA2B
SCHEMBL28122440 0.82 MGLL (0.50) PTGS1PTGS2GSK3BKCNA5CNR1
SCHEMBL1990381 0.82 PTGS1 (0.54) PTGS1PTGS2GSK3BCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
CN-115340555-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-11-15 CN disclosed
CN-113173924-B Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-07-19 CN disclosed
WO-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed
CN-113173924-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-07-27 CN disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
EP-2760835-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
EP-2760836-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
WO-2013045447-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 WO disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US 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 (4 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-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 PTGS1 710/4885PTGS2 772/4885GSK3B 3839/4885
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPA1, TRPV3 PTGS1 536/4885PTGS2 629/4885GSK3B 3046/4885
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 PTGS1 1205/4885PTGS2 2365/4885GSK3B 1207/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 PTGS1 268/4885PTGS2 524/4885GSK3B 1552/4885

“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.