SCHEMBL537491

SCHEMBL537491

COCc1cccc(CN)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CXCR4 P61073 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
POLB P06746 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
LMNA P02545 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPT P10636 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
RXRA P19793 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL4276755 0.89 KCNH2 (0.52) KCNH2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29792017 0.84 HRH1 (0.42) KCNH2ADORA2AADORA1CXCR4ADORA3
SCHEMBL24618108 0.84 HRH1 (0.42) KCNH2ADORA2AADORA1CXCR4ADORA3
SCHEMBL522024 0.82 HRH4 (0.46) KCNH2CXCR4HRH4GRIN1GRIN2B
SCHEMBL13564633 0.81 KCNH2 (0.45) KCNH2ADORA2AADORA1CXCR4ADORA3
SCHEMBL28610171 0.79 HRH4 (0.44) KCNH2CXCR4HRH4GRIN1GRIN2B
Hydrochloric Acid SCHEMBL10753045 0.79 GRIN2D (0.48) KCNH2CXCR4HRH4GRIN1GRIN2B
SCHEMBL3928236 0.79 BACE1 (0.45) KCNH2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2082787 0.79 KCNH2 (0.44) KCNH2ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29695042 0.79 KCNH2 (0.44) KCNH2ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 US disclosed
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 US disclosed
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 US disclosed
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-12-29 US disclosed
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2020-06-04 US disclosed
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-01-21 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2019-01-31 US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 US disclosed
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2013-09-19 US disclosed
US-8450328-B2 Triazolo[4,5-D]pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2013-05-28 US disclosed
EP-2321321-B1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS R&D LTD (GB) 2012-02-08 EP disclosed
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2011-07-14 US disclosed
EP-2321321-A1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS Vernalis (R&D) Limited (GB) 2011-05-18 EP disclosed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
WO-2009156737-A1 TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2009-12-30 WO disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 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 (12 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-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 KCNH2 832/4885ADORA2A 11/4885ADORA1 15/4885
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 KCNH2 645/4885ADORA2A 1/4885ADORA1 3/4885
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 KCNH2 923/4885ADORA2A 1/4885ADORA1 2/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 841/4885ADORA2A 11/4885ADORA1 15/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 KCNH2 923/4885ADORA2A 1/4885ADORA1 2/4885
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 KCNH2 832/4885ADORA2A 11/4885ADORA1 15/4885

“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.