SCHEMBL45147

SCHEMBL45147

NC(=O)c1ccccc1-c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
GRM5 P41594 1/20 0.49
NUDT1 P36639 1/20 0.48
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
ADRA1A P35348 2/20 0.46
TSHR P16473 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
MC4R P32245 1/20 0.46
MC3R P41968 1/20 0.46
SIRT3 Q9NTG7 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL30521876 1.00 BCAT2 (0.53) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL31227852 1.00 BCAT2 (0.53) BCAT2CSNK1A1TYRO3DYRK1BGRM5
Trifluoroacetic Acid SCHEMBL3676572 0.90 BCAT2 (0.47) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL27870881 0.86 HCRTR2 (0.42) ALOX5APFEN1ADRA1ATSHRMEN1
SCHEMBL28532968 0.85 KDM4C (0.48) TSHRKMT2ATDP1KDM4EHCRTR1
SCHEMBL30227102 0.85 KDM4C (0.48) TSHRKMT2ATDP1KDM4EHCRTR1
SCHEMBL30776208 0.85 KDM4C (0.48) TSHRKMT2ATDP1KDM4EHCRTR1
SCHEMBL30776205 0.85 KDM4C (0.48) TSHRKMT2ATDP1KDM4EHCRTR1
SCHEMBL19604229 0.83 KDM4C (0.57) CSNK1A1TYRO3DYRK1BGRM5ALOX5AP
SCHEMBL3646683 0.81 ADORA3 (0.47) BCAT2CSNK1A1DYRK1BADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083821-B 3,5- of one kind, bis- substitutions-pyrazine -2- benzamide compound synthetic method 上海皓元生物医药科技有限公司 2019-01-11 CN claimed
CN-107235867-A It is used as the aryl sultam derivative of RORc conditioning agents 弗·哈夫曼-拉罗切有限公司 2017-10-10 CN claimed
CN-104470917-B Aryl sultam derivatives as RORc modulators 弗·哈夫曼-拉罗切有限公司 2017-08-04 CN claimed
CN-104470917-A Aryl sultam derivatives as RORc modulators HOFFMANN LA ROCHE 2015-03-25 CN claimed
CN-103038235-A Substituted imidazopyrazines Bayer Pharma AG 2013-04-10 CN claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP claimed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO claimed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 US disclosed
CN-115768757-A CD206 modulators and uses and methods of making thereof 美利坚合众国,由健康及人类服务部部长代表 2023-03-07 CN disclosed
EP-3433237-A1 CRYSTALLINE FORM Astrazeneca AB (SE) 2019-01-30 EP disclosed
CN-106083821-B 3,5- of one kind, bis- substitutions-pyrazine -2- benzamide compound synthetic method 上海皓元生物医药科技有限公司 2019-01-11 CN disclosed
CN-106083821-B 3,5- of one kind, bis- substitutions-pyrazine -2- benzamide compound synthetic method 上海皓元生物医药科技有限公司 2019-01-11 CN disclosed
CN-108658876-A The chloro- N- of 3,5- diamino -6- (N- (4- phenyl butyls) carbonamidine base) pyrazine -2- benzamide compounds 帕里昂科学公司 2018-10-16 CN disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
EP-2170848-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
CN-101076331-A Compositions comprising nicotinic acid receptor partial agonists for the treatment of rubeosis and lipid-related disorders ARENA PHARM INC (US) 2007-11-21 CN disclosed
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 CN 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 (1 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 BCAT2 870/4885CSNK1A1 1250/4885TYRO3 4770/4885

“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.