SCHEMBL2949191

SCHEMBL2949191

N#Cc1ccnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.53
CLK4 Q9HAZ1 3/20 0.50
GRM5 P41594 5/20 0.49
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
FFAR1 O14842 1/20 0.48
TGFBR1 P36897 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A3 P47895 1/20 0.43
MYC P01106 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
SCHEMBL30158989 1.00 ASIC3 (0.53) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL17116486 0.89 TDO2 (0.44) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL9792939 0.87 CLK4 (0.62) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL18462117 0.86 GRM5 (0.44) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL16016610 0.86 GABRG2 (0.63) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL17116600 0.85 CLK4 (0.51) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL17116616 0.85 PPARG (0.43) CLK4GRM5GABRA1GABRG2GABRB3
SCHEMBL17116603 0.84 GRM5 (0.43) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL17116488 0.84 TGFBR1 (0.46) ASIC3CLK4GRM5GABRA1GABRG2
SCHEMBL17116030 0.84 ESR1 (0.43) ASIC3GRM5GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955559-A Method for preparing triarylphosphine and oxide thereof by photoinduction of cyanopyridine 南京师范大学 2024-11-15 CN disclosed
CN-115403519-B Synthesis method of N-substituted isonicotinamide compound driven by visible light 河南师范大学 2024-03-01 CN disclosed
WO-2023085123-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-05-19 WO disclosed
CN-112409250-B Direct aromatization process of cyanopyridine 常州工程职业技术学院 2023-02-28 CN disclosed
CN-115403519-A Synthesis method of N-substituted isonicotinamide compound driven by visible light 河南师范大学 2022-11-29 CN disclosed
CN-113582915-A Synthesis method of 4-substituted pyridine compound 河南师范大学 2021-11-02 CN disclosed
CN-107922400-B Muscarinic M1 receptor positive allosteric modulators 苏文生命科学有限公司 2021-05-11 CN disclosed
CN-112409250-A Direct aromatization process of cyanopyridine 常州工程职业技术学院 2021-02-26 CN disclosed
US-10308620-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2019-06-04 US disclosed
US-20180155302-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-06-07 US disclosed
WO-2016198937-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2016-12-15 WO disclosed
CN-103755631-B The direct aromatize technique of pyridine derivate CHANGZHOU ENGINEERING VOCATIONAL TECHNICAL COLLEGE (CN) 2016-03-02 CN disclosed
CN-103755631-A Direct aromatization process of pyridine derivative CHANGZHOU INST ENG TECH 2014-04-30 CN disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 ASIC3 2941/4885CLK4 2739/4885GRM5 2620/4885
US-10308620-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 ASIC3 801/4885CLK4 3540/4885GRM5 43/4885
US-20180155302-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 ASIC3 801/4885CLK4 3540/4885GRM5 43/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ASIC3 2941/4885CLK4 2739/4885GRM5 2620/4885

“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.