SCHEMBL455636

SCHEMBL455636

N#Cc1cc([C]=O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
XDH P47989 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CHEK1 O14757 1/20 0.33
NPY5R Q15761 1/20 0.33
KDR P35968 1/20 0.33
GRM2 Q14416 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL995799 0.85 CLK4 (0.44) MYCXDHABCG2CHEK1NPY5R
SCHEMBL29598148 0.85 CLK4 (0.44) MYCXDHABCG2CHEK1NPY5R
SCHEMBL6461001 0.85
SCHEMBL451669 0.74
SCHEMBL2173234 0.73 MYC (0.36) MYCXDHABCG2GABRA1GABRG2
SCHEMBL31133396 0.73 MYC (0.62) MYCXDHABCG2CHEK1NPY5R
SCHEMBL9792895 0.73 MYC (0.62) MYCXDHABCG2CHEK1NPY5R
SCHEMBL6009491 0.73 CCR1 (0.42)
SCHEMBL131627 0.71
SCHEMBL1145922 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212510-A1 METHODS FOR TREATING NEURODEGENERATIVE DISORDERS PRAETEGO INC (US) 2023-11-02 WO disclosed
US-20230338344-A1 AMPK Activators and Methods of Use Thereof BIOVERATIV THERAPEUTICS INC. (US) 2023-10-26 US disclosed
EP-4221700-A1 AMPK ACTIVATORS AND METHODS OF USE THEREOF Bioverativ Therapeutics Inc. (US) 2023-08-09 EP disclosed
EP-4007632-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS Praetego, Inc. (US) 2022-06-08 EP disclosed
CN-114502546-A Inhibitors of advanced glycation endproducts 普拉特戈公司 2022-05-13 CN disclosed
US-20210163450-A1 Inhibitors of Advanced Glycation End Products PRAETEGO INC 2021-06-03 US disclosed
WO-2021022215-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS KHALIFAH RAJA G (US) 2021-02-04 WO disclosed
US-9783527-B2 Indazole ureas and method of use ABBVIE INC. (US) 2017-10-10 US disclosed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
EP-3194404-A1 INDAZOLE UREAS AND METHOD OF USE AbbVie Inc. (US) 2017-07-26 EP disclosed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (8 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 MYC 4149/4885XDH 888/4885ABCG2 890/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MYC 266/4885XDH 2817/4885ABCG2 3924/4885
US-20230338344-A1 AMPK Activators and Methods of Use Thereof PRKAG2, PRKAG3, PRKAG1 MYC 2566/4885XDH 1907/4885ABCG2 3887/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MYC 3769/4885XDH 1516/4885ABCG2 3114/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MYC 3710/4885XDH 1852/4885ABCG2 2800/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MYC 541/4885XDH 1724/4885ABCG2 831/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR MYC 1916/4885XDH 1347/4885ABCG2 2581/4885
US-20210163450-A1 Inhibitors of Advanced Glycation End Products AGER, GLA, GPR119 MYC 2749/4885XDH 825/4885ABCG2 1062/4885

“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.