SCHEMBL3245641

SCHEMBL3245641

Nc1ncnc2c1ncn2C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 1.00
PI4KA P42356 4/20 1.00
PI4K2B Q8TCG2 4/20 1.00
PI4K2A Q9BTU6 4/20 1.00
PI4KB Q9UBF8 4/20 1.00
ADORA3 P0DMS8 4/20 0.97
ADORA1 P30542 4/20 0.97
ADORA2B P29275 2/20 0.91
NFKB1 P19838 2/20 0.77
BLM P54132 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
THPO P40225 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
TP53 P04637 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL978424 0.98 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21435666 0.95 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28984637 0.92 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
Methyl Alcohol SCHEMBL10438261 0.91 ADORA2A (0.91) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL20536490 0.87 CYP1A2 (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3712758 0.84 ADORA2A (0.79) ADORA2API4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL15310347 0.83 ADORA2A (0.77) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL17546014 0.83 ADORA2A (0.72) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6467183 0.81 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11400740 0.81 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
US-7365178-B2 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. (US) 2008-04-29 US claimed
US-20050043507-A1 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. 2005-02-24 US claimed
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US claimed
CN-119546750-A Methods for making and using differentiated neural cells 研究发展基金会 2025-02-28 CN disclosed
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
WO-2022187839-A1 COMBINATION THERAPY TO TREAT TEMPERATURE SENSTIVE MUTANT TUMORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE INC. (US) 2022-09-09 WO disclosed
CN-113827657-A Traditional Chinese medicine composition preparation for treating epidemic cold (qi-yin deficiency syndrome) and application 云南省中医医院(云南中医药大学第一附属医院) 2021-12-24 CN disclosed
CN-111544498-A New application of angelica sinensis and peony powder 天津中医药大学 2020-08-18 CN disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed
US-20050043507-A1 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. 2005-02-24 US disclosed
WO-2004090154-A2 ACYL- PHOSPHATE AND PHOSPHONATE PROBES AND METHODS OF THEIR SYNTHESIS AND USE IN PROTEOMIC ANALYSIS ACTIVX BIOSCIENCES, INC. (US) 2004-10-21 WO disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO disclosed
US-4278675-A ADMINISTERING 9-CYCLOHEXYL-9H-ADENINE OR 9-BENZYL-2-N-PROPOXY-9H-ADENINE BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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 (2 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-20050043507-A1 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis GTPBP4, NCBP1, RRBP1 ADORA2A 2267/4885PI4KA 2884/4885PI4K2B 2791/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ADORA2A 1642/4885PI4KA 1612/4885PI4K2B 1818/4885

“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.