SCHEMBL447390

SCHEMBL447390

Nn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
ADORA2A P29274 4/20 0.64
PDE4A P27815 3/20 0.58
PDE4B Q07343 3/20 0.58
PDE4C Q08493 3/20 0.58
PDE4D Q08499 3/20 0.58
ADORA3 P0DMS8 7/20 0.55
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ACHE P22303 1/20 0.47
GDA Q9Y2T3 1/20 0.47
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
PTGS1 P23219 2/20 0.40
HBB P68871 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40

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
Hydrochloric Acid SCHEMBL7296127 0.98 ADORA2B (0.62) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9260345 0.82 ADORA2B (0.51) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL17311158 0.79 ADORA2B (0.60) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL28516221 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL10996 0.78 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9574927 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9949244 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL28648091 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL2837684 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL618977 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119817601-A Composite microbial agent and application thereof in improving saline-alkali stress resistance of crops 山东农大肥业科技股份有限公司 2025-04-15 CN claimed
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
EP-3900712-A1 GPCR HETEROMER INHIBITORS AND USES THEREOF GPCR Therapeutics, Inc. (KR) 2021-10-27 EP claimed
EP-3727371-A1 GPCR HETEROMER INHIBITORS AND USES THEREOF GPCR Therapeutics, Inc. (KR) 2020-10-28 EP claimed
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US claimed
EP-3452092-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-13 EP claimed
WO-2017191300-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-09 WO claimed
EP-2507241-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2012-10-10 EP claimed
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 US claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO claimed
EP-0814810-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1998-01-07 EP claimed
US-5629298-A INCREASING CONTRACTILE PERFORMANCE, ADENOSINE TRANSPORT INHIBITORS USED AS POTENTIATORS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-05-13 US claimed
EP-0755254-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-01-29 EP claimed
WO-1996028163-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-09-19 WO claimed
CN-1031641-C Process for preparing 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1996-04-24 CN claimed
CN-1114880-A Novel treatment SMITHKLINE BEECHAM PLC (GB) 1996-01-17 CN claimed
US-5461059-A Antihistamine; treats allergies and asthma LABORATOIRE THERAMEX S.A. (FR) 1995-10-24 US claimed
WO-1995026728-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-10-12 WO claimed
CN-1047502-A The preparation method of 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1990-12-05 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 ADORA2B 2902/4885ADORA2A 1801/4885PDE4A 2291/4885

“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.