SCHEMBL2276295

SCHEMBL2276295

Cn1cnc(-c2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
AHR P35869 7/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PPARA Q07869 1/20 0.38
ATM Q13315 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11996645 0.82 AOC3 (0.46) AOC3AHRNPC1RAB9ASMN1; SMN2
SCHEMBL22230009 0.81 PCSK9 (0.42) AOC3PPARAGPR119PCSK9
SCHEMBL21889496 0.80 AOC3 (0.48) AOC3NPC1NFKB1RAB9ANFKB2
SCHEMBL22130134 0.80 KEAP1 (0.50) AOC3NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL17541736 0.80 AOC3 (0.48) AOC3NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL2611132 0.80 NR1H3 (0.45) AOC3NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL822577 0.79 NPC1 (0.47) AOC3NPC1NFKB1RAB9ANFKB2
SCHEMBL18113524 0.79 AOC3 (0.45) AOC3PPARAPCSK9
SCHEMBL2659856 0.78 AHR (0.45) AHRNPC1RAB9ASMN1; SMN2PPARA
SCHEMBL11994402 0.77 LMNA (0.44) AOC3NPC1RAB9ASMN1; SMN2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814355-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2025-12-24 EP disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
CN-111164084-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-23 CN disclosed
EP-3998258-A1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL- 1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3- (METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS Merck Sharp & Dohme Corp. (US) 2022-05-18 EP disclosed
WO-2022083560-A1 TYK2 SELECTIVE INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2022-04-28 WO disclosed
EP-3233824-B1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3- (METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS MERCK SHARP & DOHME (US) 2021-12-01 EP disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 US disclosed
EP-3233079-B1 (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2011041152-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2011-04-07 WO disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 AOC3 1150/4885AHR 716/4885NPC1 1520/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 AOC3 1150/4885AHR 716/4885NPC1 1520/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 AOC3 4426/4885AHR 2596/4885NPC1 1625/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 AOC3 4548/4885AHR 2348/4885NPC1 2151/4885

“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.