SCHEMBL3548828

SCHEMBL3548828

Nc1ncnc2nc(-c3ccco3)nn12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.68
ADORA1 P30542 7/20 0.68
ADORA2B P29275 6/20 0.68
ADORA3 P0DMS8 7/20 0.60
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL29896445 0.86 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL30153455 0.81 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL5428722 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3548138 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5415967 0.78 ADORA2A (0.74) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL9326944 0.78 ADORA2A (0.74) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL9427973 0.77 ADORA2A (0.72) ADORA2AADORA1ADORA2BADORA3
SCHEMBL23447725 0.75 ADORA2A (0.72) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL9325861 0.75 ADORA3 (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL9264847 0.75 ADORA3 (1.00) ADORA2AADORA1ADORA2BADORA3KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO claimed
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US claimed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP claimed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO disclosed
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
CN-114728998-A Sulfonamide compounds targeting CD73 and adenosine receptors 奥瑞基尼探索技术有限公司 2022-07-08 CN disclosed
US-7834014-B2 Parkinson's disease; [2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol; BIOGEN IDEC MA INC. (US) 2010-11-16 US disclosed
US-7285550-B2 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2007-10-23 US disclosed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US disclosed
US-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same BIOGEN IDEC MA INC. 2006-12-07 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 (3 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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA2B 4/4885
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 ADORA2A 1/4885ADORA1 4/4885ADORA2B 2/4885
US-20060276475-A1 Triazolotriazines and pyrazolotriazines and methods of making and using the same ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 6/4885

“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.