SCHEMBL489378

SCHEMBL489378

NNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 1.00
ADORA2B P29275 2/20 1.00
CYP1A2 P05177 2/20 0.76
THPO P40225 1/20 0.76
MEN1 O00255 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
KMT2A Q03164 1/20 0.76
BLM P54132 1/20 0.76
LMNA P02545 1/20 0.73
NT5E P21589 1/20 0.73
HIF1A Q16665 1/20 0.73

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
SCHEMBL14131219 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL8373455 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL15472807 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL7753712 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL489384 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL20128456 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL24652562 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL278439 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL22826758 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL6725298 1.00 ADORA2A (1.00) ADORA2AADORA2BCYP1A2THPOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430647-A Preparation method of regadenoson 康普药业股份有限公司 2024-01-23 CN claimed
CN-110483602-B Preparation method of regadenoson 常州方圆制药有限公司 2022-05-17 CN claimed
CN-110483602-A A kind of preparation method of Rui Jiadesong CHANGZHOU FANG YUAN PHARMACEUTICAL CO LTD 2019-11-22 CN claimed
US-RE47301-E1 Process for preparing an A2A-adenosine receptor agonist and its polymorphs GILEAD SCIENCES, INC. (US) 2019-03-19 US claimed
US-9085601-B2 Process for preparing an A2A-adenosine receptor agonist and its polymorphs GILEAD SCIENCES, INC. (US) 2015-07-21 US claimed
US-20140213539-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD SCIENCES, INC. (US) 2014-07-31 US claimed
US-20140206857-A1 METHOD FOR THE PREPARATION OF 2-(4-METHOXYCARBONYLPYRAZOL-1-YL)ADENOSINE AND 2-(4-ETHOXYCARBONYLPYRAZOL-1-YL)ADENOSINE FARMAK, A.S. (CZ) 2014-07-24 US claimed
US-8524883-B2 Monohydrate of (1-{9-[4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide GILEAD SCIENCES, INC. (US) 2013-09-03 US claimed
WO-2013023626-A1 A METHOD FOR THE PREPARATION OF 2-(4-METHOXYCARBONYLPYRAZOL-L-YL)ADENOSINE AND 2-(4-ETHOXYCARBONYLPYRAZOL-L-YL)ADENOSINE FARMAK, A.S. (CZ) 2013-02-21 WO claimed
WO-2012149196-A1 IMPROVED PROCESSES FOR THE PREPARATION OF REGADENOSON AND A NEW CRYSTALLINE FORM THEREOF RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2012-11-01 WO claimed
US-20120165350-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD SCIENCES, INC. 2012-06-28 US claimed
EP-0567094-B1 Hydrazoadenosines DISCOVERY THERAPEUTICS INC (US) 1999-03-03 EP claimed
CN-114096551-B With A2A2-Benzylidene hydrazino adenosines with adenosine receptor agonistic activity 中国人民解放军军事科学院军事医学研究院 2024-08-13 CN disclosed
CN-113943334-B A, A 2A Process for preparing adenosine receptor agonists 常州方圆制药有限公司 2024-04-09 CN disclosed
CN-114249785-B Preparation method of 2-adenosine N-pyrazole derivative regadenoson 常州方圆制药有限公司 2024-04-05 CN disclosed
CN-117430647-A Preparation method of regadenoson 康普药业股份有限公司 2024-01-23 CN disclosed
WO-1995007049-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS, INC. (US) 1995-03-16 WO disclosed
WO-1994006438-A1 ADENOSINE ANALOGUES AND METHOD OF INCREASING ADENOSINE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed
US-5278150-A Vasodilation WHITBY RESEARCH, INC. (US) 1994-01-11 US disclosed
EP-0567094-A2 Hydrazoadenosines Discovery Therapeutics, Inc. (US) 1993-10-27 EP 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-20140206857-A1 METHOD FOR THE PREPARATION OF 2-(4-METHOXYCARBONYLPYRAZOL-1-YL)ADENOSINE AND 2-(4-ETHOXYCARBONYLPYRAZOL-1-YL)ADENOSINE ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885CYP1A2 278/4885
US-20120165350-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA2B 3/4885CYP1A2 161/4885
US-20140213539-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA2B 3/4885CYP1A2 161/4885

“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.